[(3-chlorophenyl)methyl]({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})methylamine

• ChemBase ID: 646896
• Molecular Formular: C15H20ClN3O
• Molecular Mass: 293.7918
• Monoisotopic Mass: 293.12948996
• SMILES: c1(n(ccn1)CCOC)CN(Cc1cc(Cl)ccc1)C
• Canonical SMILES: COCCn1ccnc1CN(Cc1cccc(c1)Cl)C
• InChI: InChI=1S/C15H20ClN3O/c1-18(11-13-4-3-5-14(16)10-13)12-15-17-6-7-19(15)8-9-20-2/h3-7,10H,8-9,11-12H2,1-2H3
• InChIKey: PWKJJOGXGHZLIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-chlorophenyl)methyl]({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})methylamine
• IUPAC Traditional name: [(3-chlorophenyl)methyl]({[1-(2-methoxyethyl)imidazol-2-yl]methyl})methylamine
• Synonyms: (3-chlorobenzyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2703801
• LogD (pH = 7.4): 2.3002985
• Log P: 2.3745573
• Molar Refractivity: 82.2401 cm^3
• Polarizability: 31.779974 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.55
• LOG S: -2.51
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7