cyclopropyl(4-fluorophenyl)methanamine

• ChemBase ID: 272289
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(CC1)C(c1ccc(cc1)F)N
• Canonical SMILES: NC(c1ccc(cc1)F)C1CC1
• InChI: InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10H,1-2,12H2
• InChIKey: DMSWDNXXNCUYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-fluorophenyl)methanamine
• IUPAC Traditional name: cyclopropyl(4-fluorophenyl)methanamine
• Synonyms: cyclopropyl(4-fluorophenyl)methanamine

Database IDs

• MDL Number: MFCD05191953
• PubChem SID: 164328199
• PubChem CID: 3915385

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92506915
• LogD (pH = 7.4): -0.18194906
• Log P: 2.0820606
• Molar Refractivity: 46.36 cm^3
• Polarizability: 18.134977 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.99

Product Information

• Purity: 95%