{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(2-methylphenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 839034
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c1(n(ccn1)CCOC)CN(Cc1c(C)cccc1)CC=C
• Canonical SMILES: C=CCN(Cc1nccn1CCOC)Cc1ccccc1C
• InChI: InChI=1S/C18H25N3O/c1-4-10-20(14-17-8-6-5-7-16(17)2)15-18-19-9-11-21(18)12-13-22-3/h4-9,11H,1,10,12-15H2,2-3H3
• InChIKey: USSQRDCYOJSRGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(2-methylphenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)imidazol-2-yl]methyl}[(2-methylphenyl)methyl]prop-2-en-1-ylamine
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-(2-methylbenzyl)prop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8941454
• LogD (pH = 7.4): 2.9379947
• Log P: 3.015184
• Molar Refractivity: 91.6392 cm^3
• Polarizability: 35.14398 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.6
• LOG S: -2.6
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 9