[1-(3-fluorophenyl)cyclopropyl]methanamine

• ChemBase ID: 278115
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(CC1)(c1cc(F)ccc1)CN
• Canonical SMILES: NCC1(CC1)c1cccc(c1)F
• InChI: InChI=1S/C10H12FN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2
• InChIKey: TYUDIEAIIITGJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluorophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(3-fluorophenyl)cyclopropyl]methanamine
• Synonyms: [1-(3-fluorophenyl)cyclopropyl]methanamine; C-[1-(3-FLUORO-PHENYL)-CYCLOPROPYL]-METHYLAMINE

Database IDs

• CAS Number: 886365-90-8
• MDL Number: MFCD07374429
• PubChem SID: 164334025
• PubChem CID: 20110057

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1725078
• LogD (pH = 7.4): -0.18984129
• Log P: 1.8096251
• Molar Refractivity: 46.5703 cm^3
• Polarizability: 18.059563 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.01

Product Information

• Purity: 95%; 98%