2-(pyridin-3-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine

• ChemBase ID: 695872
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(c(cc(cc1OC)CN1CC(c2cnccc2)OCC1)OC)OC
• Canonical SMILES: COc1cc(CN2CCOC(C2)c2cccnc2)cc(c1OC)OC
• InChI: InChI=1S/C19H24N2O4/c1-22-16-9-14(10-17(23-2)19(16)24-3)12-21-7-8-25-18(13-21)15-5-4-6-20-11-15/h4-6,9-11,18H,7-8,12-13H2,1-3H3
• InChIKey: RMOIFJWEUJCFTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 2-(pyridin-3-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
• Synonyms: 2-pyridin-3-yl-4-(3,4,5-trimethoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0720828
• LogD (pH = 7.4): 1.7673125
• Log P: 1.7896961
• Molar Refractivity: 95.1907 cm^3
• Polarizability: 37.27073 Å^3
• Polar Surface Area: 53.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.12
• LOG S: -0.36
• Polar Surface Area: 53.05 Å^2
• Rotatable Bonds: 6