({2-[(dimethylamino)methyl]phenyl}methyl)(methyl)[(1-methyl-1H-imidazol-5-yl)methyl]amine

• ChemBase ID: 761478
• Molecular Formular: C16H24N4
• Molecular Mass: 272.38856
• Monoisotopic Mass: 272.20009679
• SMILES: c1(n(cnc1)C)CN(Cc1c(CN(C)C)cccc1)C
• Canonical SMILES: CN(Cc1cncn1C)Cc1ccccc1CN(C)C
• InChI: InChI=1S/C16H24N4/c1-18(2)10-14-7-5-6-8-15(14)11-19(3)12-16-9-17-13-20(16)4/h5-9,13H,10-12H2,1-4H3
• InChIKey: FFBFSFSQTXNVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2-[(dimethylamino)methyl]phenyl}methyl)(methyl)[(1-methyl-1H-imidazol-5-yl)methyl]amine
• IUPAC Traditional name: ({2-[(dimethylamino)methyl]phenyl}methyl)(methyl)[(3-methylimidazol-4-yl)methyl]amine
• Synonyms: 1-{2-[(dimethylamino)methyl]phenyl}-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 1.35
• LOG S: -1.33
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3

JChem

• LogD (pH = 5.5): -3.2250817
• LogD (pH = 7.4): -0.21029413
• Log P: 1.6057197
• Molar Refractivity: 85.485 cm^3
• Polarizability: 32.62094 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0