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

• ChemBase ID: 248024
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: c1(C2C(N)CCC2)c(Cl)cccc1
• Canonical SMILES: NC1CCCC1c1ccccc1Cl
• InChI: InChI=1S/C11H14ClN/c12-10-6-2-1-4-8(10)9-5-3-7-11(9)13/h1-2,4,6,9,11H,3,5,7,13H2
• InChIKey: GNPPIVFFQGMMCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16824912
• PubChem SID: 164303934
• PubChem CID: 58023129

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18610653
• LogD (pH = 7.4): 0.37577033
• Log P: 2.8320644
• Molar Refractivity: 55.7034 cm^3
• Polarizability: 22.119234 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%