2-(6-methoxynaphthalen-2-yl)-4-methylmorpholine

• ChemBase ID: 577866
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: c1(C2CN(CCO2)C)cc2c(cc(cc2)OC)cc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C
• InChI: InChI=1S/C16H19NO2/c1-17-7-8-19-16(11-17)14-4-3-13-10-15(18-2)6-5-12(13)9-14/h3-6,9-10,16H,7-8,11H2,1-2H3
• InChIKey: JWVAUKRDIXNEBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-methylmorpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-methylmorpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-methylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0400894
• LogD (pH = 7.4): 2.4304645
• Log P: 2.5877147
• Molar Refractivity: 76.2588 cm^3
• Polarizability: 31.089119 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.79
• LOG S: -2.45
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 2