N-methyl-2-(4-methylphenyl)cyclopentan-1-amine

• ChemBase ID: 283363
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(c2ccc(cc2)C)C(NC)CCC1
• Canonical SMILES: CNC1CCCC1c1ccc(cc1)C
• InChI: InChI=1S/C13H19N/c1-10-6-8-11(9-7-10)12-4-3-5-13(12)14-2/h6-9,12-14H,3-5H2,1-2H3
• InChIKey: GZYLTDDKXDHLRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
• IUPAC Traditional name: N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
• Synonyms: N-methyl-2-(4-methylphenyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD16825078
• PubChem SID: 180668894
• PubChem CID: 54595742

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.058365177
• LogD (pH = 7.4): 0.37606063
• Log P: 3.1740215
• Molar Refractivity: 60.7144 cm^3
• Polarizability: 23.923225 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.011

Product Information

• Purity: 95%