(2-methoxyethyl)(methyl)[(2-phenyl-1H-imidazol-4-yl)methyl]amine

• ChemBase ID: 596073
• Molecular Formular: C14H19N3O
• Molecular Mass: 245.32016
• Monoisotopic Mass: 245.15281224
• SMILES: n1c([nH]cc1CN(CCOC)C)c1ccccc1
• Canonical SMILES: COCCN(Cc1nc([nH]c1)c1ccccc1)C
• InChI: InChI=1S/C14H19N3O/c1-17(8-9-18-2)11-13-10-15-14(16-13)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3,(H,15,16)
• InChIKey: CPZVEOXVOATVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)[(2-phenyl-1H-imidazol-4-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)(methyl)[(2-phenyl-1H-imidazol-4-yl)methyl]amine
• Synonyms: (2-methoxyethyl)methyl[(2-phenyl-1H-imidazol-4-yl)methyl]amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.01
• LOG S: -1.99
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 1
• LogD (pH = 5.5): -0.0118364645
• LogD (pH = 7.4): 1.563629
• Log P: 1.8554392
• Molar Refractivity: 83.1784 cm^3
• Polarizability: 28.849894 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.195381
• H Acceptors: 3