4-{[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl}-2-phenylmorpholine

• ChemBase ID: 737390
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: c1(CN2CCCC2)c(ccc(c1)CN1CC(OCC1)c1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1CN1CCCC1)CN1CCOC(C1)c1ccccc1
• InChI: InChI=1S/C23H30N2O2/c1-26-22-10-9-19(15-21(22)17-24-11-5-6-12-24)16-25-13-14-27-23(18-25)20-7-3-2-4-8-20/h2-4,7-10,15,23H,5-6,11-14,16-18H2,1H3
• InChIKey: BSVJDTKIUZLZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl}-2-phenylmorpholine
• IUPAC Traditional name: 4-{[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl}-2-phenylmorpholine
• Synonyms: 4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)benzyl]-2-phenylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.48119274
• LogD (pH = 7.4): 2.357261
• Log P: 3.6699052
• Molar Refractivity: 110.5049 cm^3
• Polarizability: 43.159767 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.06
• LOG S: -3.48
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6