cyclopentyl(4-fluorophenyl)methanamine hydrochloride

• ChemBase ID: 258764
• Molecular Formular: C12H17ClFN
• Molecular Mass: 229.7214832
• Monoisotopic Mass: 229.10335545
• SMILES: C(c1ccc(cc1)F)(C1CCCC1)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)F)C1CCCC1.Cl
• InChI: InChI=1S/C12H16FN.ClH/c13-11-7-5-10(6-8-11)12(14)9-3-1-2-4-9;/h5-9,12H,1-4,14H2;1H
• InChIKey: MZNQZJMESMHSSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11813964
• PubChem SID: 164314674
• PubChem CID: 42944925

CALCULATED PROPERTIES

• Log P: 2.9711978
• Molar Refractivity: 55.562 cm^3
• Polarizability: 21.819525 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.03593245
• LogD (pH = 7.4): 0.7071794

PROPERTIES

Physical Property

• Melting Point: 337 - 339°C
• Hydrophobicity(logP): 3.108

Product Information

• Purity: 95%