[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl](methyl)[(5-methylfuran-2-yl)methyl]amine

• ChemBase ID: 513889
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: O1c2c(CC1(C)C)cc(CN(Cc1oc(cc1)C)C)cc2
• Canonical SMILES: CN(Cc1ccc(o1)C)Cc1ccc2c(c1)CC(O2)(C)C
• InChI: InChI=1S/C18H23NO2/c1-13-5-7-16(20-13)12-19(4)11-14-6-8-17-15(9-14)10-18(2,3)21-17/h5-9H,10-12H2,1-4H3
• InChIKey: VNRAHPWEYWYPNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl](methyl)[(5-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: [(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl](methyl)[(5-methylfuran-2-yl)methyl]amine
• Synonyms: 1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-[(5-methyl-2-furyl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0120891
• LogD (pH = 7.4): 2.7761323
• Log P: 3.4782927
• Molar Refractivity: 85.5837 cm^3
• Polarizability: 32.836864 Å^3
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.42
• LOG S: -4.05
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4