dimethyl({1-[4-(quinoxalin-2-yl)phenyl]ethyl})amine

• ChemBase ID: 568438
• Molecular Formular: C18H19N3
• Molecular Mass: 277.36356
• Monoisotopic Mass: 277.15789762
• SMILES: n1c(cnc2c1cccc2)c1ccc(C(N(C)C)C)cc1
• Canonical SMILES: CN(C(c1ccc(cc1)c1cnc2c(n1)cccc2)C)C
• InChI: InChI=1S/C18H19N3/c1-13(21(2)3)14-8-10-15(11-9-14)18-12-19-16-6-4-5-7-17(16)20-18/h4-13H,1-3H3
• InChIKey: JWUCVQIGGJUVOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({1-[4-(quinoxalin-2-yl)phenyl]ethyl})amine
• IUPAC Traditional name: dimethyl({1-[4-(quinoxalin-2-yl)phenyl]ethyl})amine
• Synonyms: N,N-dimethyl-1-(4-quinoxalin-2-ylphenyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.48056945
• LogD (pH = 7.4): 2.0658565
• Log P: 3.690126
• Molar Refractivity: 85.1761 cm^3
• Polarizability: 36.117138 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.52
• LOG S: -3.22
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3