[(3,5-dimethoxyphenyl)methyl](methyl)[(3-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 761365
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c1(ncccc1C)CN(Cc1cc(cc(c1)OC)OC)C
• Canonical SMILES: COc1cc(CN(Cc2ncccc2C)C)cc(c1)OC
• InChI: InChI=1S/C17H22N2O2/c1-13-6-5-7-18-17(13)12-19(2)11-14-8-15(20-3)10-16(9-14)21-4/h5-10H,11-12H2,1-4H3
• InChIKey: HGCQTZVPDQMRPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dimethoxyphenyl)methyl](methyl)[(3-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: [(3,5-dimethoxyphenyl)methyl](methyl)[(3-methylpyridin-2-yl)methyl]amine
• Synonyms: (3,5-dimethoxybenzyl)methyl[(3-methylpyridin-2-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2387185
• LogD (pH = 7.4): 2.5683968
• Log P: 2.700994
• Molar Refractivity: 84.5018 cm^3
• Polarizability: 32.875587 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -1.29
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6