[(4,5-dimethylfuran-2-yl)methyl][2-methoxy-1-(pyridin-2-yl)ethyl]methylamine

• ChemBase ID: 410333
• Molecular Formular: C16H22N2O2
• Molecular Mass: 274.35808
• Monoisotopic Mass: 274.16812795
• SMILES: c1(oc(c(c1)C)C)CN(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(Cc1oc(c(c1)C)C)C)c1ccccn1
• InChI: InChI=1S/C16H22N2O2/c1-12-9-14(20-13(12)2)10-18(3)16(11-19-4)15-7-5-6-8-17-15/h5-9,16H,10-11H2,1-4H3
• InChIKey: ZDUJFDTXOBFEGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4,5-dimethylfuran-2-yl)methyl][2-methoxy-1-(pyridin-2-yl)ethyl]methylamine
• IUPAC Traditional name: [(4,5-dimethylfuran-2-yl)methyl][2-methoxy-1-(pyridin-2-yl)ethyl]methylamine
• Synonyms: N-[(4,5-dimethyl-2-furyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3476927
• LogD (pH = 7.4): 2.3826392
• Log P: 2.4411254
• Molar Refractivity: 79.9048 cm^3
• Polarizability: 30.835302 Å^3
• Polar Surface Area: 38.5 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: 2.21
• LOG S: -0.78
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6