4-(3-chloropyridin-2-yl)-2-[(3-methoxyphenyl)methyl]morpholine

• ChemBase ID: 501625
• Molecular Formular: C17H19ClN2O2
• Molecular Mass: 318.79796
• Monoisotopic Mass: 318.11350554
• SMILES: N1(c2ncccc2Cl)CC(OCC1)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)c1ncccc1Cl
• InChI: InChI=1S/C17H19ClN2O2/c1-21-14-5-2-4-13(10-14)11-15-12-20(8-9-22-15)17-16(18)6-3-7-19-17/h2-7,10,15H,8-9,11-12H2,1H3
• InChIKey: KIFMNHNWSSNBDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chloropyridin-2-yl)-2-[(3-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-(3-chloropyridin-2-yl)-2-[(3-methoxyphenyl)methyl]morpholine
• Synonyms: 4-(3-chloro-2-pyridinyl)-2-(3-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.699813
• LogD (pH = 7.4): 3.75805
• Log P: 3.7588491
• Molar Refractivity: 88.0235 cm^3
• Polarizability: 33.664032 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: 3
• H Donor: 0
• Log P: 3.66
• LOG S: -4.65
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4