4-{1-[4-(6-methoxypyridin-2-yl)phenyl]ethyl}morpholine

• ChemBase ID: 551804
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: n1c(c2ccc(C(N3CCOCC3)C)cc2)cccc1OC
• Canonical SMILES: COc1cccc(n1)c1ccc(cc1)C(N1CCOCC1)C
• InChI: InChI=1S/C18H22N2O2/c1-14(20-10-12-22-13-11-20)15-6-8-16(9-7-15)17-4-3-5-18(19-17)21-2/h3-9,14H,10-13H2,1-2H3
• InChIKey: NHZXCOKVJHKGTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[4-(6-methoxypyridin-2-yl)phenyl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[4-(6-methoxypyridin-2-yl)phenyl]ethyl}morpholine
• Synonyms: 4-{1-[4-(6-methoxypyridin-2-yl)phenyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4226869
• LogD (pH = 7.4): 3.038754
• Log P: 3.3649068
• Molar Refractivity: 87.478 cm^3
• Polarizability: 35.473877 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: 2.38
• LOG S: -2.4
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4