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[4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone

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Identification
Molecular formula
C21H24BrFNO2
CAS number
138516-87-1
IUPAC name
[4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone
State
State

This compound is generally encountered as a solid under normal temperature and pressure conditions.

Melting point (Celsius)
186.00
Melting point (Kelvin)
459.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
431.32g/mol
Molar mass
431.2980g/mol
Density
1.3900g/cm3
Appearence

This compound is typically a white to off-white solid, often appearing as a crystalline powder.

Comment on solubility

Solubility of 4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone

The solubility of the compound C21H24BrFNO2 is influenced by its complex structure, which includes multiple functional groups. Generally, solubility in solvents can be classified based on the polarity of the compound and the solvent used. Here are some key aspects of its solubility:

  • Polarity: With both hydrophilic (e.g., the amino group) and hydrophobic (e.g., the phenyl groups) characteristics, this compound may exhibit moderate solubility in polar solvents such as water, yet it may also dissolve in non-polar solvents due to its hydrophobic sections.
  • Solvent Compatibility: Typical solvents for testing solubility may include:
    • Water (potentially low solubility due to hydrophobic regions)
    • Alcohols (e.g., ethanol, which may increase solubility)
    • Aromatic hydrocarbons (which could enhance dissolution of the aromatic components)
  • Temperature Effects: As with many organic compounds, solubility can increase with an increase in temperature, facilitating better dispersion in chosen solvents.
  • Potential Applications: Understanding solubility is crucial for applications involving drug formulation and delivery, where solubility impacts bioavailability.

In conclusion, while precise solubility data for this compound might require empirical testing, one can anticipate a level of solubility influenced by its mixed character, allowing it to interact variably with both polar and non-polar solvents.

Interesting facts

Interesting Facts about 4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone

This compound is a fascinating example in the field of organic chemistry, particularly due to its unique structure and potential applications. Here are some interesting insights:

  • Structural Complexity: The compound features multiple functional groups, including an allyl group, an amine, and a fluorophenyl moiety, which contribute to its chemical reactivity and potential interactions.
  • Pharmaceutical Relevance: Compounds like this one can play crucial roles in drug design and development, often acting as precursors or intermediates in the synthesis of pharmaceuticals.
  • Fluorine's Role: The inclusion of fluorine atoms in organic compounds can significantly enhance their biological activity and stability, making them more effective in medicinal chemistry.
  • Bromination Benefits: The presence of bromine may provide unique properties such as increased lipophilicity, which can enhance the bioavailability of compounds in a biological system.
  • Research Potential: The diverse molecular structure opens avenues for research into its potential applications in various fields, such as materials science, pharmaceuticals, and agrochemicals.

As a chemistry student or researcher, understanding the intricacies of such compounds not only broadens your knowledge but also enhances your appreciation of the innovative designs in synthetic organic chemistry. The exploration of compounds with advanced structures like this one exemplifies the cutting-edge nature of modern scientific inquiry.

Synonyms
Ro 48-8071
161582-11-2
[4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
Ro-48-8071
(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
YDR69X9Q9M
R048-8071
CHEMBL304858
(4-BROMOPHENYL)[3-FLUORO-4-[[6-(METHYL-2-PROPENYLAMINO)HEXYL]OXY]PHENYL]-METHANONE
1gsz
(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone
Ro48-8071
(4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-(4-bromo-phenyl)-methanone
[4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl]-(4-bromo-phenyl)-methanone
{4-[6-(Allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl}-(4-bromo-phenyl)-methanone
compound 2 [PMID: 22533316]
Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-,(2E)-2-butenedioate
UNII-YDR69X9Q9M
(4'-(6-Allylmethylaminohexyloxy)-2'-fluorophenyl)-4-(4-bromophenyl)methanone fumarate
GTPL6710
SCHEMBL3674881
DTXSID90870077
CHEBI:101064
CMYCCJYVZIMDFU-UHFFFAOYSA-N
HMS3649J22
HMS3743C21
BCP30557
BDBM50128065
AKOS025294639
CS-3518
DB02016
NCGC00165878-01
NCGC00165878-02
HY-18630
NS00018037
SR-01000946731
SR-01000946731-1
BRD-K55192287-051-01-1
Q27088590
N-allyl-6-(4-(4-bromobenzoyl)-3-fluorophenoxy)-N-methylhexan-1-aminium
(4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanone
(4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]methanone
[4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone
Methanone, (4-bromophenyl)(2-fluoro-4-((6-(methyl-2-propenylamino)hexyl)oxy)phenyl)-
Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-
Ro 488071; Ro488071; Ro-488071; Ro 488071; Ro-488071