(furan-2-ylmethyl)[(2,3,4-trimethoxyphenyl)methyl]amine

• ChemBase ID: 13250
• Molecular Formular: C15H19NO4
• Molecular Mass: 277.31566
• Monoisotopic Mass: 277.13140809
• SMILES: c1cc(oc1)CNCc1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(CNCc2ccco2)ccc(c1OC)OC
• InChI: InChI=1S/C15H19NO4/c1-17-13-7-6-11(14(18-2)15(13)19-3)9-16-10-12-5-4-8-20-12/h4-8,16H,9-10H2,1-3H3
• InChIKey: MORGQINDLMEREX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(2,3,4-trimethoxyphenyl)methyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[(2,3,4-trimethoxyphenyl)methyl]amine
• Synonyms: Furan-2-ylmethyl-(2,3,4-trimethoxy-benzyl)-amine

Database IDs

• MDL Number: MFCD03724428
• PubChem SID: 160976557
• PubChem CID: 777701

CALCULATED PROPERTIES

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18664542
• LogD (pH = 7.4): 1.6466231
• Log P: 1.8433006
• Molar Refractivity: 75.6991 cm^3
• Polarizability: 29.552647 Å^3
• Polar Surface Area: 52.86 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false