2-(6-methoxynaphthalen-2-yl)-4-[(3-methylpyridin-2-yl)methyl]morpholine

• ChemBase ID: 323035
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: N1(Cc2ncccc2C)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1ncccc1C
• InChI: InChI=1S/C22H24N2O2/c1-16-4-3-9-23-21(16)14-24-10-11-26-22(15-24)19-6-5-18-13-20(25-2)8-7-17(18)12-19/h3-9,12-13,22H,10-11,14-15H2,1-2H3
• InChIKey: CYTMMBYVOKZFHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-[(3-methylpyridin-2-yl)methyl]morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-[(3-methylpyridin-2-yl)methyl]morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-[(3-methylpyridin-2-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6880617
• LogD (pH = 7.4): 3.6423256
• Log P: 3.6894088
• Molar Refractivity: 103.2335 cm^3
• Polarizability: 41.55342 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: 3.29
• LOG S: -2.24
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4