N-[(4-fluorophenyl)methyl]cyclopropanamine

• ChemBase ID: 249972
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(CC1)NCc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CNC1CC1
• InChI: InChI=1S/C10H12FN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2
• InChIKey: YKNFXOCMGURJMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]cyclopropanamine
• Synonyms: N-(4-fluorobenzyl)cyclopropanamine

Database IDs

• MDL Number: MFCD07330007
• PubChem SID: 164305882
• PubChem CID: 573031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9825984
• LogD (pH = 7.4): 0.3098106
• Log P: 2.139861
• Molar Refractivity: 46.7336 cm^3
• Polarizability: 18.135466 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 2.007

Product Information

• Purity: 95%