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

• ChemBase ID: 773738
• Molecular Formular: C15H21ClN2O2
• Molecular Mass: 296.79244
• Monoisotopic Mass: 296.1291556
• SMILES: N1(C(=O)c2ccc(cc2)Cl)CC(OCC1)CCN(C)C
• Canonical SMILES: CN(CCC1OCCN(C1)C(=O)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C15H21ClN2O2/c1-17(2)8-7-14-11-18(9-10-20-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3
• InChIKey: SVRLJRWBVJYFOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4666375
• LogD (pH = 7.4): 0.06042252
• Log P: 1.7951539
• Molar Refractivity: 81.3638 cm^3
• Polarizability: 31.26186 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: 2.02
• LOG S: -1.66
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3