1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-[ethyl(methyl)amino]ethan-1-one

• ChemBase ID: 426932
• Molecular Formular: C15H20Cl2N2O2
• Molecular Mass: 331.2375
• Monoisotopic Mass: 330.09018325
• SMILES: N1(C(=O)CN(CC)C)CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: CCN(CC(=O)N1CCOC(C1)c1ccc(c(c1)Cl)Cl)C
• InChI: InChI=1S/C15H20Cl2N2O2/c1-3-18(2)10-15(20)19-6-7-21-14(9-19)11-4-5-12(16)13(17)8-11/h4-5,8,14H,3,6-7,9-10H2,1-2H3
• InChIKey: FMRHLEQLASFNAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-[ethyl(methyl)amino]ethan-1-one
• IUPAC Traditional name: 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-[ethyl(methyl)amino]ethanone
• Synonyms: 2-[2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethyl-N-methyl-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.18418252
• LogD (pH = 7.4): 1.9096432
• Log P: 2.4391994
• Molar Refractivity: 85.4038 cm^3
• Polarizability: 33.39787 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.32
• LOG S: -4.45
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4