({4-[(dimethylamino)methyl]thiophen-2-yl}methyl)(methyl)[(5-methylfuran-2-yl)methyl]amine

• ChemBase ID: 433723
• Molecular Formular: C15H22N2OS
• Molecular Mass: 278.41298
• Monoisotopic Mass: 278.14528433
• SMILES: c1(cc(sc1)CN(Cc1oc(cc1)C)C)CN(C)C
• Canonical SMILES: CN(Cc1scc(c1)CN(C)C)Cc1ccc(o1)C
• InChI: InChI=1S/C15H22N2OS/c1-12-5-6-14(18-12)9-17(4)10-15-7-13(11-19-15)8-16(2)3/h5-7,11H,8-10H2,1-4H3
• InChIKey: ZKLHXCUOUURIGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-[(dimethylamino)methyl]thiophen-2-yl}methyl)(methyl)[(5-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: ({4-[(dimethylamino)methyl]thiophen-2-yl}methyl)(methyl)[(5-methylfuran-2-yl)methyl]amine
• Synonyms: ({4-[(dimethylamino)methyl]-2-thienyl}methyl)methyl[(5-methyl-2-furyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.1827228
• LogD (pH = 7.4): 1.2789466
• Log P: 2.7532017
• Molar Refractivity: 82.1865 cm^3
• Polarizability: 31.295513 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.91
• LOG S: -2.71
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6