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

• ChemBase ID: 264203
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: C1(c2ccc(cc2)F)(N)CCCC1.Cl
• Canonical SMILES: NC1(CCCC1)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11;/h3-6H,1-2,7-8,13H2;1H
• InChIKey: JPWHJFCLVUIHMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196278
• PubChem SID: 164320113
• PubChem CID: 45792516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4978043
• LogD (pH = 7.4): 0.0677754
• Log P: 2.5201867
• Molar Refractivity: 51.0506 cm^3
• Polarizability: 19.976412 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 2.699

Product Information

• Purity: 95%