[1-(3-chlorophenyl)cyclopentyl]methanamine

• ChemBase ID: 263044
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C1(c2cc(Cl)ccc2)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1cccc(c1)Cl
• InChI: InChI=1S/C12H16ClN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
• InChIKey: RUCYJFAAKGHQNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-chlorophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(3-chlorophenyl)cyclopentyl]methanamine
• Synonyms: [1-(3-chlorophenyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD09904044
• PubChem SID: 164318954
• PubChem CID: 20110058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.17649129
• LogD (pH = 7.4): 1.1484622
• Log P: 3.1601052
• Molar Refractivity: 60.3607 cm^3
• Polarizability: 23.961304 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.698

Product Information

• Purity: 95%