CAS 771581-68-1

2,3-Difluoro-4-methylbenzeneethanamine

Description:

2,3-Difluoro-4-methylbenzeneethanamine, also known by its CAS number 771581-68-1, is an organic compound characterized by the presence of both fluorine and amine functional groups. This compound features a benzene ring substituted with two fluorine atoms at the 2 and 3 positions and a methyl group at the 4 position, along with an ethylamine side chain. The presence of fluorine atoms typically enhances the compound's lipophilicity and may influence its reactivity and biological activity. The amine group can participate in hydrogen bonding, making the compound potentially soluble in polar solvents. Its structural features suggest potential applications in pharmaceuticals or agrochemicals, where fluorinated compounds often exhibit improved metabolic stability and bioactivity. Additionally, the specific arrangement of substituents can affect the compound's electronic properties and steric hindrance, which are crucial for its interactions in chemical reactions or biological systems. Overall, 2,3-Difluoro-4-methylbenzeneethanamine represents a unique structure with potential significance in various chemical and medicinal contexts.

Formula: C₉H₁₁F₂N

InChI: InChI=1S/C9H11F2N/c1-6-2-3-7(4-5-12)9(11)8(6)10/h2-3H,4-5,12H2,1H3

InChI key: InChIKey=GGDCPLSBKSIEOL-UHFFFAOYSA-N

SMILES: C(CN)C1=C(F)C(F)=C(C)C=C1

Synonyms:

• Benzeneethanamine, 2,3-difluoro-4-methyl-
• 2-(2,3-Difluoro-4-methylphenyl)ethan-1-amine
• 2,3-Difluoro-4-methylbenzeneethanamine
• 2-(2,3-Difluoro-4-methylphenyl)ethanamine