benzyl(methyl)[(3-methylpyridin-4-yl)methyl]amine

• ChemBase ID: 349477
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: c1(CN(Cc2ccccc2)C)c(cncc1)C
• Canonical SMILES: CN(Cc1ccncc1C)Cc1ccccc1
• InChI: InChI=1S/C15H18N2/c1-13-10-16-9-8-15(13)12-17(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
• InChIKey: PHIZXTAEGPGEFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)[(3-methylpyridin-4-yl)methyl]amine
• IUPAC Traditional name: benzyl(methyl)[(3-methylpyridin-4-yl)methyl]amine
• Synonyms: N-benzyl-N-methyl-1-(3-methylpyridin-4-yl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.15301509
• LogD (pH = 7.4): 1.9227244
• Log P: 2.9348648
• Molar Refractivity: 72.0976 cm^3
• Polarizability: 27.899317 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.7
• LOG S: -0.85
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4