[2-(2-ethoxyphenoxy)ethyl](methyl)(quinoxalin-2-ylmethyl)amine

• ChemBase ID: 331975
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: n1c(cnc2c1cccc2)CN(CCOc1c(OCC)cccc1)C
• Canonical SMILES: CCOc1ccccc1OCCN(Cc1cnc2c(n1)cccc2)C
• InChI: InChI=1S/C20H23N3O2/c1-3-24-19-10-6-7-11-20(19)25-13-12-23(2)15-16-14-21-17-8-4-5-9-18(17)22-16/h4-11,14H,3,12-13,15H2,1-2H3
• InChIKey: XMWKDIDDHPUSLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-ethoxyphenoxy)ethyl](methyl)(quinoxalin-2-ylmethyl)amine
• IUPAC Traditional name: [2-(2-ethoxyphenoxy)ethyl](methyl)(quinoxalin-2-ylmethyl)amine
• Synonyms: 2-(2-ethoxyphenoxy)-N-methyl-N-(quinoxalin-2-ylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5334972
• LogD (pH = 7.4): 2.9794738
• Log P: 3.1651332
• Molar Refractivity: 97.2349 cm^3
• Polarizability: 39.6124 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.42
• LOG S: -3.58
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 8