cyclopentyl(phenyl)methanamine hydrochloride

• ChemBase ID: 259899
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: C(c1ccccc1)(C1CCCC1)N.Cl
• Canonical SMILES: NC(c1ccccc1)C1CCCC1.Cl
• InChI: InChI=1S/C12H17N.ClH/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9,13H2;1H
• InChIKey: MWNLQCUCZDOTEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(phenyl)methanamine hydrochloride
• IUPAC Traditional name: cyclopentyl(phenyl)methanamine hydrochloride
• Synonyms: cyclopentyl(phenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD12197063
• PubChem SID: 164315809
• PubChem CID: 12280948

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18216865
• LogD (pH = 7.4): 0.5112487
• Log P: 2.828496
• Molar Refractivity: 55.3456 cm^3
• Polarizability: 22.237673 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.965

Product Information

• Purity: 95%