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

• ChemBase ID: 279246
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: C1(c2ccc(cc2)Cl)C(N)CCC1.Cl
• Canonical SMILES: NC1CCCC1c1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C11H14ClN.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: RRDQDSKBBBBIMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20233635
• PubChem SID: 164335156
• PubChem CID: 21319672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18822351
• LogD (pH = 7.4): 0.3273868
• Log P: 2.8320644
• Molar Refractivity: 55.7034 cm^3
• Polarizability: 22.115433 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.079

Product Information

• Purity: 95%