dimethyl({2-[2-(pyridin-4-yl)phenoxy]ethyl})amine

• ChemBase ID: 575205
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: c1(c(OCCN(C)C)cccc1)c1ccncc1
• Canonical SMILES: CN(CCOc1ccccc1c1ccncc1)C
• InChI: InChI=1S/C15H18N2O/c1-17(2)11-12-18-15-6-4-3-5-14(15)13-7-9-16-10-8-13/h3-10H,11-12H2,1-2H3
• InChIKey: NMEGFUJXXWOAOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[2-(pyridin-4-yl)phenoxy]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[2-(pyridin-4-yl)phenoxy]ethyl})amine
• Synonyms: N,N-dimethyl-2-(2-pyridin-4-ylphenoxy)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.84476066
• LogD (pH = 7.4): 0.8998135
• Log P: 2.263772
• Molar Refractivity: 73.5196 cm^3
• Polarizability: 30.030619 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -1.76
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5