[2-ethoxy-5-({[(5-ethylpyridin-2-yl)methyl](methyl)amino}methyl)phenyl]methanol

• ChemBase ID: 691154
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: c1(c(ccc(c1)CN(Cc1ncc(cc1)CC)C)OCC)CO
• Canonical SMILES: CCOc1ccc(cc1CO)CN(Cc1ccc(cn1)CC)C
• InChI: InChI=1S/C19H26N2O2/c1-4-15-6-8-18(20-11-15)13-21(3)12-16-7-9-19(23-5-2)17(10-16)14-22/h6-11,22H,4-5,12-14H2,1-3H3
• InChIKey: MNWMGZNUFLHQRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-ethoxy-5-({[(5-ethylpyridin-2-yl)methyl](methyl)amino}methyl)phenyl]methanol
• IUPAC Traditional name: [2-ethoxy-5-({[(5-ethylpyridin-2-yl)methyl](methyl)amino}methyl)phenyl]methanol
• Synonyms: (2-ethoxy-5-{[[(5-ethylpyridin-2-yl)methyl](methyl)amino]methyl}phenyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.673584
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2581093
• LogD (pH = 7.4): 2.7053947
• Log P: 2.892692
• Molar Refractivity: 94.2041 cm^3
• Polarizability: 36.499756 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.61
• LOG S: -1.41
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 8