(furan-2-ylmethyl)[(5-methoxy-1H-indol-3-yl)methyl]amine

• ChemBase ID: 34240
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1(c2c([nH]c1)ccc(c2)OC)CNCc1occc1
• Canonical SMILES: COc1ccc2c(c1)c(CNCc1ccco1)c[nH]2
• InChI: InChI=1S/C15H16N2O2/c1-18-12-4-5-15-14(7-12)11(9-17-15)8-16-10-13-3-2-6-19-13/h2-7,9,16-17H,8,10H2,1H3
• InChIKey: VDLWWURNDWEWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(5-methoxy-1H-indol-3-yl)methyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[(5-methoxy-1H-indol-3-yl)methyl]amine
• Synonyms: N-(2-Furylmethyl)-N-[(5-methoxy-1H-indol-3-yl)-methyl]amine

Database IDs

• MDL Number: MFCD11982921
• PubChem SID: 160997547
• PubChem CID: 25219439

CALCULATED PROPERTIES

• Acid pKa: 16.304388
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.19767237
• LogD (pH = 7.4): 1.5361967
• Log P: 2.257405
• Molar Refractivity: 73.8592 cm^3
• Polarizability: 29.727737 Å^3
• Polar Surface Area: 50.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false