[1-(2-fluorophenyl)cyclopentyl]methanamine

• ChemBase ID: 19083
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: c1(C2(CN)CCCC2)c(F)cccc1
• Canonical SMILES: NCC1(CCCC1)c1ccccc1F
• InChI: InChI=1S/C12H16FN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
• InChIKey: OVIJBJGRNSGENG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2-fluorophenyl)cyclopentyl]methanamine
• Synonyms: 1-[1-(2-fluorophenyl)cyclopentyl]methanamine; C-[1-(2-Fluoro-phenyl)-cyclopentyl]-methylamine

Database IDs

• CAS Number: 378247-87-1
• MDL Number: MFCD06213184
• PubChem SID: 160982390
• PubChem CID: 17609133

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.27345374
• LogD (pH = 7.4): 0.77380866
• Log P: 2.6987624
• Molar Refractivity: 55.7723 cm^3
• Polarizability: 21.744755 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false