1-(3-chlorophenyl)cyclopentan-1-amine

• ChemBase ID: 239509
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: C1(c2cc(Cl)ccc2)(N)CCCC1
• Canonical SMILES: Clc1cccc(c1)C1(N)CCCC1
• InChI: InChI=1S/C11H14ClN/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,13H2
• InChIKey: YOBFSMIZMFYSRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(3-chlorophenyl)cyclopentan-1-amine
• Synonyms: 1-(3-chlorophenyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD09904114
• PubChem SID: 164295419
• PubChem CID: 24274026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.0345865
• LogD (pH = 7.4): 0.5677156
• Log P: 2.9815295
• Molar Refractivity: 55.639 cm^3
• Polarizability: 22.193983 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.269

Product Information

• Purity: 95%