2-{4-[(3,5-dichloro-2-methoxyphenyl)methyl]morpholin-2-yl}ethan-1-amine

• ChemBase ID: 740322
• Molecular Formular: C14H20Cl2N2O2
• Molecular Mass: 319.2268
• Monoisotopic Mass: 318.09018325
• SMILES: c1(c(c(cc(c1)Cl)Cl)OC)CN1CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)Cc1cc(Cl)cc(c1OC)Cl
• InChI: InChI=1S/C14H20Cl2N2O2/c1-19-14-10(6-11(15)7-13(14)16)8-18-4-5-20-12(9-18)2-3-17/h6-7,12H,2-5,8-9,17H2,1H3
• InChIKey: GJEQSWOEOIVKDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[(3,5-dichloro-2-methoxyphenyl)methyl]morpholin-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{4-[(3,5-dichloro-2-methoxyphenyl)methyl]morpholin-2-yl}ethanamine
• Synonyms: 2-[4-(3,5-dichloro-2-methoxybenzyl)morpholin-2-yl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2055187
• LogD (pH = 7.4): -0.48868695
• Log P: 2.0693033
• Molar Refractivity: 82.2334 cm^3
• Polarizability: 32.52886 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -2.12
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5