4-{[6-(3-ethoxyphenyl)pyridin-3-yl]methyl}morpholine

• ChemBase ID: 420120
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: n1c(c2cc(OCC)ccc2)ccc(CN2CCOCC2)c1
• Canonical SMILES: CCOc1cccc(c1)c1ccc(cn1)CN1CCOCC1
• InChI: InChI=1S/C18H22N2O2/c1-2-22-17-5-3-4-16(12-17)18-7-6-15(13-19-18)14-20-8-10-21-11-9-20/h3-7,12-13H,2,8-11,14H2,1H3
• InChIKey: MLPOZLJIDPCJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[6-(3-ethoxyphenyl)pyridin-3-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[6-(3-ethoxyphenyl)pyridin-3-yl]methyl}morpholine
• Synonyms: 4-{[6-(3-ethoxyphenyl)pyridin-3-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4829419
• LogD (pH = 7.4): 2.6311343
• Log P: 2.7106822
• Molar Refractivity: 87.4943 cm^3
• Polarizability: 35.470158 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.04
• LOG S: -2.96
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5