{2-[2-(2,2-diphenylethyl)morpholin-4-yl]ethyl}dimethylamine

• ChemBase ID: 318015
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: C(CC1OCCN(C1)CCN(C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(CCN1CCOC(C1)CC(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C22H30N2O/c1-23(2)13-14-24-15-16-25-21(18-24)17-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22H,13-18H2,1-2H3
• InChIKey: CNOJGMHIPHLYCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(2,2-diphenylethyl)morpholin-4-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[2-(2,2-diphenylethyl)morpholin-4-yl]ethyl}dimethylamine
• Synonyms: 2-[2-(2,2-diphenylethyl)-4-morpholinyl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6512156
• LogD (pH = 7.4): 2.2014856
• Log P: 3.9286067
• Molar Refractivity: 105.3641 cm^3
• Polarizability: 41.34395 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.88
• LOG S: -3.97
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7