2-(2,4-difluorophenyl)ethan-1-amine

• ChemBase ID: 273631
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: c1(cc(ccc1CCN)F)F
• Canonical SMILES: NCCc1ccc(cc1F)F
• InChI: InChI=1S/C8H9F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
• InChIKey: OGCUAECIKFVXQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenyl)ethan-1-amine
• IUPAC Traditional name: 2-(2,4-difluorophenyl)ethanamine
• Synonyms: 2-(2,4-difluorophenyl)ethan-1-amine; 2-(2,4-Difluorophenyl)ethanamine

Database IDs

• CAS Number: 134672-72-3
• MDL Number: MFCD01529878
• PubChem SID: 164329541
• PubChem CID: 3689239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3289057
• LogD (pH = 7.4): -0.5229924
• Log P: 1.6730794
• Molar Refractivity: 39.7192 cm^3
• Polarizability: 14.827425 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.719

Product Information

• Purity: 95%; 95+%