(3-chlorophenyl)(cyclopentyl)methanamine

• ChemBase ID: 241193
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: c1(C(C2CCCC2)N)cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)C(C1CCCC1)N
• InChI: InChI=1S/C12H16ClN/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5,14H2
• InChIKey: BVJRXBJSWYOURK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(cyclopentyl)methanamine
• IUPAC Traditional name: (3-chlorophenyl)(cyclopentyl)methanamine
• Synonyms: (3-chlorophenyl)(cyclopentyl)methanamine

Database IDs

• MDL Number: MFCD12153890
• PubChem SID: 164297103
• PubChem CID: 60820172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.42858672
• LogD (pH = 7.4): 1.2116296
• Log P: 3.4325407
• Molar Refractivity: 60.1504 cm^3
• Polarizability: 24.03887 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.678

Product Information

• Purity: 95%