4-{[(furan-2-ylmethyl)amino]methyl}-N,N-dimethylaniline

• ChemBase ID: 10902
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: c1c(ccc(c1)N(C)C)CNCc1ccco1
• Canonical SMILES: CN(c1ccc(cc1)CNCc1ccco1)C
• InChI: InChI=1S/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,10-11H2,1-2H3
• InChIKey: CTIJIFPFXXKIKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(furan-2-ylmethyl)amino]methyl}-N,N-dimethylaniline
• IUPAC Traditional name: 4-{[(furan-2-ylmethyl)amino]methyl}-N,N-dimethylaniline
• Synonyms: (4-{[(Furan-2-ylmethyl)-amino]-methyl}-phenyl)-dimethylamine; 4-{[(furan-2-ylmethyl)amino]methyl}-N,N-dimethylaniline

Database IDs

• CAS Number: 289490-62-6
• MDL Number: MFCD00444226
• PubChem SID: 160974209
• PubChem CID: 776373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.013812831
• LogD (pH = 7.4): 1.7594888
• Log P: 2.4243584
• Molar Refractivity: 70.7381 cm^3
• Polarizability: 26.824059 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.009

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%