methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]{[5-(oxan-2-yl)furan-2-yl]methyl}amine

• ChemBase ID: 314944
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: c1(oc(cc1)CN(CCn1c(ncc1)C)C)C1OCCCC1
• Canonical SMILES: CN(Cc1ccc(o1)C1CCCCO1)CCn1ccnc1C
• InChI: InChI=1S/C17H25N3O2/c1-14-18-8-9-20(14)11-10-19(2)13-15-6-7-17(22-15)16-5-3-4-12-21-16/h6-9,16H,3-5,10-13H2,1-2H3
• InChIKey: YZDIBIXCLGFYFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]{[5-(oxan-2-yl)furan-2-yl]methyl}amine
• IUPAC Traditional name: methyl[2-(2-methylimidazol-1-yl)ethyl]{[5-(oxan-2-yl)furan-2-yl]methyl}amine
• Synonyms: N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6797847
• LogD (pH = 7.4): 0.8261857
• Log P: 1.710792
• Molar Refractivity: 86.6296 cm^3
• Polarizability: 33.34081 Å^3
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.72
• LOG S: -1.87
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 6