2-(3,4-dichlorophenyl)-4-[(2,6-dimethoxyphenyl)methyl]morpholine

• ChemBase ID: 524982
• Molecular Formular: C19H21Cl2NO3
• Molecular Mass: 382.28094
• Monoisotopic Mass: 381.0898489
• SMILES: c1(CN2CC(c3cc(c(cc3)Cl)Cl)OCC2)c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1CN1CCOC(C1)c1ccc(c(c1)Cl)Cl)OC
• InChI: InChI=1S/C19H21Cl2NO3/c1-23-17-4-3-5-18(24-2)14(17)11-22-8-9-25-19(12-22)13-6-7-15(20)16(21)10-13/h3-7,10,19H,8-9,11-12H2,1-2H3
• InChIKey: XOZOJIIQCDWQRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-[(2,6-dimethoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-[(2,6-dimethoxyphenyl)methyl]morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(2,6-dimethoxybenzyl)morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 3.95
• LOG S: -4.35

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9980698
• LogD (pH = 7.4): 4.36569
• Log P: 4.3731294
• Molar Refractivity: 100.494 cm^3
• Polarizability: 39.425003 Å^3
• Polar Surface Area: 30.93 Å^2