2-(dimethylamino)-2-(3-methylphenyl)-1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 589680
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: C(=O)(C(c1cc(ccc1)C)N(C)C)N1CCOCC1
• Canonical SMILES: CN(C(C(=O)N1CCOCC1)c1cccc(c1)C)C
• InChI: InChI=1S/C15H22N2O2/c1-12-5-4-6-13(11-12)14(16(2)3)15(18)17-7-9-19-10-8-17/h4-6,11,14H,7-10H2,1-3H3
• InChIKey: FQGOCJLMZVXALG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-methylphenyl)-1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-methylphenyl)-1-(morpholin-4-yl)ethanone
• Synonyms: N,N-dimethyl-1-(3-methylphenyl)-2-(4-morpholinyl)-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.35241964
• LogD (pH = 7.4): 1.2402426
• Log P: 1.5399126
• Molar Refractivity: 76.1619 cm^3
• Polarizability: 29.51736 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.17
• LOG S: -2.97
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3