2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 307907
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(C(c2c(C)cccc2)CN)CCC(CC1)C
• Canonical SMILES: NCC(c1ccccc1C)N1CCC(CC1)C
• InChI: InChI=1S/C15H24N2/c1-12-7-9-17(10-8-12)15(11-16)14-6-4-3-5-13(14)2/h3-6,12,15H,7-11,16H2,1-2H3
• InChIKey: ZYKVFXBMJPZELG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
• Synonyms: 2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

Database IDs

• CAS Number: 915922-08-6
• MDL Number: MFCD08691727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.82094884
• LogD (pH = 7.4): 0.47441223
• Log P: 2.8282325
• Molar Refractivity: 73.9525 cm^3
• Polarizability: 29.212513 Å^3
• Polar Surface Area: 29.26 Å^2