{2-[4-(2,3-dihydro-1-benzofuran-7-carbonyl)morpholin-2-yl]ethyl}dimethylamine

• ChemBase ID: 861769
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: C(=O)(c1c2OCCc2ccc1)N1CC(OCC1)CCN(C)C
• Canonical SMILES: CN(CCC1OCCN(C1)C(=O)c1cccc2c1OCC2)C
• InChI: InChI=1S/C17H24N2O3/c1-18(2)8-6-14-12-19(9-11-21-14)17(20)15-5-3-4-13-7-10-22-16(13)15/h3-5,14H,6-12H2,1-2H3
• InChIKey: NPLJLNZHJJKTLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[4-(2,3-dihydro-1-benzofuran-7-carbonyl)morpholin-2-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[4-(2,3-dihydro-1-benzofuran-7-carbonyl)morpholin-2-yl]ethyl}dimethylamine
• Synonyms: 2-[4-(2,3-dihydro-1-benzofuran-7-ylcarbonyl)-2-morpholinyl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1884649
• LogD (pH = 7.4): -0.6614049
• Log P: 1.0733263
• Molar Refractivity: 86.3318 cm^3
• Polarizability: 32.941006 Å^3
• Polar Surface Area: 42.01 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 0.44
• LOG S: -1.8
• Polar Surface Area: 42.01 Å^2