2-(4-fluorophenyl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 279249
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: C1(c2ccc(cc2)F)C(N)CCC1.Cl
• Canonical SMILES: NC1CCCC1c1ccc(cc1)F.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13;/h4-7,10-11H,1-3,13H2;1H
• InChIKey: QDHZPCPWVOPKKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-fluorophenyl)cyclopentan-1-amine hydrochloride
• Synonyms: 2-(4-fluorophenyl)cyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233636
• PubChem SID: 164335159
• PubChem CID: 54595213

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.64999735
• LogD (pH = 7.4): -0.14447892
• Log P: 2.3707218
• Molar Refractivity: 51.115 cm^3
• Polarizability: 19.9015 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 2.509

Product Information

• Purity: 95%