4-{[3-(6-methoxypyridin-2-yl)phenyl]methyl}morpholine

• ChemBase ID: 531452
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: n1c(c2cc(CN3CCOCC3)ccc2)cccc1OC
• Canonical SMILES: COc1cccc(n1)c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C17H20N2O2/c1-20-17-7-3-6-16(18-17)15-5-2-4-14(12-15)13-19-8-10-21-11-9-19/h2-7,12H,8-11,13H2,1H3
• InChIKey: JWOGPEAFQLNAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(6-methoxypyridin-2-yl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[3-(6-methoxypyridin-2-yl)phenyl]methyl}morpholine
• Synonyms: 4-[3-(6-methoxypyridin-2-yl)benzyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4263066
• LogD (pH = 7.4): 2.79906
• Log P: 2.9483316
• Molar Refractivity: 83.0592 cm^3
• Polarizability: 33.628334 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.31
• LOG S: -3.09
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4