2-(6-methoxynaphthalen-2-yl)-4-[2-(pyridin-2-yl)ethyl]morpholine

• ChemBase ID: 567765
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: N1(CC(c2cc3c(cc(cc3)OC)cc2)OCC1)CCc1ncccc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)CCc1ccccn1
• InChI: InChI=1S/C22H24N2O2/c1-25-21-8-7-17-14-19(6-5-18(17)15-21)22-16-24(12-13-26-22)11-9-20-4-2-3-10-23-20/h2-8,10,14-15,22H,9,11-13,16H2,1H3
• InChIKey: QJZBYVJVXOHUKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-[2-(pyridin-2-yl)ethyl]morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-[2-(pyridin-2-yl)ethyl]morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-(2-pyridin-2-ylethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5572064
• LogD (pH = 7.4): 3.1341035
• Log P: 3.413
• Molar Refractivity: 102.8917 cm^3
• Polarizability: 41.555843 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.25
• LOG S: -2.21
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5