N-[(4-methylphenyl)methyl]cyclopentanamine

• ChemBase ID: 307889
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N(Cc1ccc(cc1)C)C1CCCC1
• Canonical SMILES: Cc1ccc(cc1)CNC1CCCC1
• InChI: InChI=1S/C13H19N/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3
• InChIKey: ZEHZDMWEUGLXDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methylphenyl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(4-methylphenyl)methyl]cyclopentanamine
• Synonyms: N-(4-methylbenzyl)cyclopentanamine

Database IDs

• CAS Number: 70000-57-6
• MDL Number: MFCD04551770

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1767504
• LogD (pH = 7.4): 0.8162236
• Log P: 3.3997178
• Molar Refractivity: 60.7604 cm^3
• Polarizability: 24.003328 Å^3
• Polar Surface Area: 12.03 Å^2