{2-[2-(2-ethylphenyl)-1H-imidazol-1-yl]ethyl}dimethylamine

• ChemBase ID: 714180
• Molecular Formular: C15H21N3
• Molecular Mass: 243.34734
• Monoisotopic Mass: 243.17354769
• SMILES: c1(n(ccn1)CCN(C)C)c1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1c1nccn1CCN(C)C
• InChI: InChI=1S/C15H21N3/c1-4-13-7-5-6-8-14(13)15-16-9-10-18(15)12-11-17(2)3/h5-10H,4,11-12H2,1-3H3
• InChIKey: HXTFPZDVTVPDSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(2-ethylphenyl)-1H-imidazol-1-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[2-(2-ethylphenyl)imidazol-1-yl]ethyl}dimethylamine
• Synonyms: 2-[2-(2-ethylphenyl)-1H-imidazol-1-yl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.71020323
• LogD (pH = 7.4): 1.2743034
• Log P: 3.0798566
• Molar Refractivity: 86.6724 cm^3
• Polarizability: 29.880184 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.65
• LOG S: -2.23
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5