[(2E)-3-(furan-2-yl)prop-2-en-1-yl](2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl]amine

• ChemBase ID: 689706
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: c1(cn(nc1)C)CN(C/C=C/c1occc1)CCOC
• Canonical SMILES: COCCN(Cc1cnn(c1)C)C/C=C/c1ccco1
• InChI: InChI=1S/C15H21N3O2/c1-17-12-14(11-16-17)13-18(8-10-19-2)7-3-5-15-6-4-9-20-15/h3-6,9,11-12H,7-8,10,13H2,1-2H3/b5-3+
• InChIKey: DYYVOYSFCJPIRB-HWKANZROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-3-(furan-2-yl)prop-2-en-1-yl](2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: [(2E)-3-(furan-2-yl)prop-2-en-1-yl](2-methoxyethyl)[(1-methylpyrazol-4-yl)methyl]amine
• Synonyms: (2E)-3-(2-furyl)-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.15335701
• LogD (pH = 7.4): 1.4149964
• Log P: 1.6901625
• Molar Refractivity: 91.8697 cm^3
• Polarizability: 30.29564 Å^3
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.75
• LOG S: -1.69
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 8