2-(6-methoxynaphthalen-2-yl)-4-(pyridin-3-ylmethyl)morpholine

• ChemBase ID: 592373
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: N1(CC(c2cc3c(cc(cc3)OC)cc2)OCC1)Cc1cnccc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C21H22N2O2/c1-24-20-7-6-17-11-19(5-4-18(17)12-20)21-15-23(9-10-25-21)14-16-3-2-8-22-13-16/h2-8,11-13,21H,9-10,14-15H2,1H3
• InChIKey: WXQHVVPGEHELER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridin-3-ylmethyl)morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridin-3-ylmethyl)morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-(pyridin-3-ylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6178318
• LogD (pH = 7.4): 2.9584534
• Log P: 3.0945153
• Molar Refractivity: 98.7145 cm^3
• Polarizability: 39.7856 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: 2.83
• LOG S: -1.75
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4