{[6-(2,5-dimethylphenyl)pyridin-3-yl]methyl}dimethylamine

• ChemBase ID: 865372
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: c1(c2ncc(CN(C)C)cc2)c(ccc(c1)C)C
• Canonical SMILES: CN(Cc1ccc(nc1)c1cc(C)ccc1C)C
• InChI: InChI=1S/C16H20N2/c1-12-5-6-13(2)15(9-12)16-8-7-14(10-17-16)11-18(3)4/h5-10H,11H2,1-4H3
• InChIKey: VWDVVSZJTVOCME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(2,5-dimethylphenyl)pyridin-3-yl]methyl}dimethylamine
• IUPAC Traditional name: {[6-(2,5-dimethylphenyl)pyridin-3-yl]methyl}dimethylamine
• Synonyms: 1-[6-(2,5-dimethylphenyl)pyridin-3-yl]-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0560001
• LogD (pH = 7.4): 2.8287637
• Log P: 3.7568886
• Molar Refractivity: 77.2904 cm^3
• Polarizability: 31.10366 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.27
• LOG S: -2.74
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3