515137-48-1

Basic information

• Product Name: Benzeneethanamine, 3-fluoro-N-methyl- (9CI)
• Synonyms: Benzeneethanamine, 3-fluoro-N-methyl- (9CI);3-Fluoro-N-Methyl-benzeneethanaMine
• CAS NO: 515137-48-1
• Molecular Formula: C₉H₁₂FN
• Molecular Weight: 153.1966832
• Product Categories: HALIDE
• Mol File: 515137-48-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 200.959 °C at 760 mmHg
• Flash Point: 75.338 °C
• Appearance: /
• Density: 1.009 g/cm³
• Vapor Pressure: 0.316mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: Benzeneethanamine, 3-fluoro-N-methyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneethanamine, 3-fluoro-N-methyl- (9CI)(515137-48-1)
• EPA Substance Registry System: Benzeneethanamine, 3-fluoro-N-methyl- (9CI)(515137-48-1)

Safety Data

• Hazardous Substances Data: 515137-48-1(Hazardous Substances Data)

Usage

General Description

Benzeneethanamine, 3-fluoro-N-methyl- (9CI) is a chemical compound with the molecular formula C9H12FN. It is a derivative of phenethylamine and contains a fluorine atom and a methyl group attached to the amine nitrogen. It is primarily used in research and development, particularly in the field of pharmacology and medicinal chemistry. Benzeneethanamine, 3-fluoro-N-methyl- (9CI) may have potential applications in drug discovery and development due to its impact on the central nervous system and potential biological activities. However, further research is needed to fully understand its properties and potential uses.

InChI:InChI=1/C9H12FN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3

Relevant articles and documents

Structure-activity correlations for β-phenethylamines at human trace amine receptor 1

A cell line in which RD-HGA16 cells were stably transfected with the hTAAR 1 receptor was created and utilized to carry out a systematic evaluation of a series of β-phenethylamines. Fair agreement was observed with data obtained for aryl and ethylene chain substituted analogs in an AV12-664 cell line in which hemagglutinin-tagged hTAAR 1 was stably co-expressed with rat Gαs. Analogs with multiple substituents as well as analogs with bulky groups were found to be partial agonists. Analogs in which the primary amino group was converted to a secondary or a tertiary amino group by N-methylation were also partial agonists. Comparative Molecular Field Analysis (CoMFA) using the potency data yielded a regression coefficient r2 of 0.824. The steric field contribution to the model was 61% with the balance (39%) contributed by the electrostatic field. The collective results suggest that increasing steric bulk both at the amino nitrogen, particularly by N-dimethylation, and at the 4-position of the aromatic ring leads to low efficacy ligands.