methyl(4-methyl-1-phenylpentyl)amine

• ChemBase ID: 307822
• Molecular Formular: C13H21N
• Molecular Mass: 191.31254
• Monoisotopic Mass: 191.16739968
• SMILES: C(CCC(C)C)(c1ccccc1)NC
• Canonical SMILES: CNC(c1ccccc1)CCC(C)C
• InChI: InChI=1S/C13H21N/c1-11(2)9-10-13(14-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
• InChIKey: LZKWDXWGOKBCQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(4-methyl-1-phenylpentyl)amine
• IUPAC Traditional name: methyl(4-methyl-1-phenylpentyl)amine
• Synonyms: N,4-dimethyl-1-phenylpentan-1-amine

Database IDs

• CAS Number: 912907-08-5
• MDL Number: MFCD08548467

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.43187073
• LogD (pH = 7.4): 1.1893642
• Log P: 3.6468484
• Molar Refractivity: 61.9994 cm^3
• Polarizability: 24.83122 Å^3
• Polar Surface Area: 12.03 Å^2