2-{4-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]phenyl}ethan-1-amine

• ChemBase ID: 848739
• Molecular Formular: C24H26N2O3
• Molecular Mass: 390.47484
• Monoisotopic Mass: 390.1943427
• SMILES: N1(C(=O)c2ccc(cc2)CCN)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: NCCc1ccc(cc1)C(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C24H26N2O3/c1-28-22-9-8-19-14-21(7-6-20(19)15-22)23-16-26(12-13-29-23)24(27)18-4-2-17(3-5-18)10-11-25/h2-9,14-15,23H,10-13,16,25H2,1H3
• InChIKey: SJDFNPWFLZHAGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]phenyl}ethan-1-amine
• IUPAC Traditional name: 2-{4-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]phenyl}ethanamine
• Synonyms: 2-(4-{[2-(6-methoxy-2-naphthyl)morpholin-4-yl]carbonyl}phenyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.07593397
• LogD (pH = 7.4): 0.8170741
• Log P: 3.083213
• Molar Refractivity: 114.4289 cm^3
• Polarizability: 45.252842 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.34
• LOG S: -4.04
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 5