2-(3-fluorophenyl)propan-1-amine

• ChemBase ID: 264644
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: c1(cc(F)ccc1)C(CN)C
• Canonical SMILES: NCC(c1cccc(c1)F)C
• InChI: InChI=1S/C9H12FN/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7H,6,11H2,1H3
• InChIKey: XDGLXAPWDQVMTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)propan-1-amine
• IUPAC Traditional name: 2-(3-fluorophenyl)propan-1-amine
• Synonyms: 2-(3-fluorophenyl)propan-1-amine

Database IDs

• MDL Number: MFCD11641489
• PubChem SID: 164320554
• PubChem CID: 43316805

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.113134
• LogD (pH = 7.4): -0.38833863
• Log P: 1.8953502
• Molar Refractivity: 43.9744 cm^3
• Polarizability: 16.94751 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.975

Product Information

• Purity: 95%