N-[(2-methylphenyl)methyl]cyclopentanamine

• ChemBase ID: 307890
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N(Cc1c(C)cccc1)C1CCCC1
• Canonical SMILES: Cc1ccccc1CNC1CCCC1
• InChI: InChI=1S/C13H19N/c1-11-6-2-3-7-12(11)10-14-13-8-4-5-9-13/h2-3,6-7,13-14H,4-5,8-10H2,1H3
• InChIKey: DQNQCGNZLHEJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methylphenyl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(2-methylphenyl)methyl]cyclopentanamine
• Synonyms: N-(2-methylbenzyl)cyclopentanamine

Database IDs

• CAS Number: 108157-27-3
• MDL Number: MFCD07407531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.17650244
• LogD (pH = 7.4): 0.8117017
• Log P: 3.3997178
• Molar Refractivity: 60.7604 cm^3
• Polarizability: 24.003601 Å^3
• Polar Surface Area: 12.03 Å^2