2-[bis(5-methylfuran-2-yl)methyl]-4,5-dimethoxyaniline

• ChemBase ID: 182252
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c1(C(c2oc(cc2)C)c2c(cc(c(c2)OC)OC)N)oc(cc1)C
• Canonical SMILES: COc1cc(c(cc1OC)N)C(c1ccc(o1)C)c1ccc(o1)C
• InChI: InChI=1S/C19H21NO4/c1-11-5-7-15(23-11)19(16-8-6-12(2)24-16)13-9-17(21-3)18(22-4)10-14(13)20/h5-10,19H,20H2,1-4H3
• InChIKey: PFPMZAKBPHIUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(5-methylfuran-2-yl)methyl]-4,5-dimethoxyaniline
• IUPAC Traditional name: 2-[bis(5-methylfuran-2-yl)methyl]-4,5-dimethoxyaniline

Database IDs

• PubChem SID: 164238162
• PubChem CID: 2751425

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.666756
• LogD (pH = 7.4): 2.6688788
• Log P: 2.668906
• Molar Refractivity: 93.279 cm^3
• Polarizability: 34.714188 Å^3
• Polar Surface Area: 70.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds