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

• ChemBase ID: 770344
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: c1(c2c(CN3CCOCC3)cccc2)ncccc1OC
• Canonical SMILES: COc1cccnc1c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C17H20N2O2/c1-20-16-7-4-8-18-17(16)15-6-3-2-5-14(15)13-19-9-11-21-12-10-19/h2-8H,9-13H2,1H3
• InChIKey: KUGQEIMEHZFEIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9669406
• LogD (pH = 7.4): 2.2414708
• Log P: 2.3538742
• Molar Refractivity: 82.7457 cm^3
• Polarizability: 33.628574 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: 1.69
• LOG S: -1.71
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4