4-[(2,4-dimethoxyphenyl)methyl]-2-(2-methylpropyl)morpholine

• ChemBase ID: 698059
• Molecular Formular: C17H27NO3
• Molecular Mass: 293.40118
• Monoisotopic Mass: 293.19909373
• SMILES: N1(Cc2c(cc(cc2)OC)OC)CC(OCC1)CC(C)C
• Canonical SMILES: COc1cc(OC)ccc1CN1CCOC(C1)CC(C)C
• InChI: InChI=1S/C17H27NO3/c1-13(2)9-16-12-18(7-8-21-16)11-14-5-6-15(19-3)10-17(14)20-4/h5-6,10,13,16H,7-9,11-12H2,1-4H3
• InChIKey: LKXDZYVOSCSKID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,4-dimethoxyphenyl)methyl]-2-(2-methylpropyl)morpholine
• IUPAC Traditional name: 4-[(2,4-dimethoxyphenyl)methyl]-2-(2-methylpropyl)morpholine
• Synonyms: 4-(2,4-dimethoxybenzyl)-2-isobutylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8581569
• LogD (pH = 7.4): 2.9778636
• Log P: 3.0514848
• Molar Refractivity: 84.694 cm^3
• Polarizability: 33.423 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.79
• LOG S: -2.71
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 6