[1-(4-fluorophenyl)cyclopropyl]methanamine

• ChemBase ID: 259044
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(CC1)(c1ccc(cc1)F)CN
• Canonical SMILES: NCC1(CC1)c1ccc(cc1)F
• InChI: InChI=1S/C10H12FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
• InChIKey: LIZUFNBWJGVYRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluorophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-fluorophenyl)cyclopropyl]methanamine
• Synonyms: [1-(4-fluorophenyl)cyclopropyl]methanamine

Database IDs

• CAS Number: 75180-46-0
• MDL Number: MFCD06213570
• PubChem SID: 164314954
• PubChem CID: 20110056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1769717
• LogD (pH = 7.4): -0.2275161
• Log P: 1.8096251
• Molar Refractivity: 46.5703 cm^3
• Polarizability: 18.059158 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.01

Product Information

• Purity: 95%; 98%