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

• ChemBase ID: 265780
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: C1(c2ccc(cc2)OC)(N)CCCC1.Cl
• Canonical SMILES: COc1ccc(cc1)C1(N)CCCC1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H
• InChIKey: NFINDQKJMNKQEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705851
• PubChem SID: 164321690
• PubChem CID: 45380294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7999773
• LogD (pH = 7.4): -0.2730277
• Log P: 2.2198136
• Molar Refractivity: 57.2974 cm^3
• Polarizability: 22.865486 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 2.475

Product Information

• Purity: 95%