2-(furan-2-ylmethoxy)aniline

• ChemBase ID: 17414
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c1(OCc2ccco2)c(cccc1)N
• Canonical SMILES: Nc1ccccc1OCc1ccco1
• InChI: InChI=1S/C11H11NO2/c12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9/h1-7H,8,12H2
• InChIKey: JKKJXKFASQBZPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-ylmethoxy)aniline
• IUPAC Traditional name: 2-(furan-2-ylmethoxy)aniline
• Synonyms: 2-(2-furylmethoxy)aniline; 2-(Furan-2-ylmethoxy)-phenylamine

Database IDs

• CAS Number: 869942-43-8
• MDL Number: MFCD04970975
• PubChem SID: 160980721
• PubChem CID: 3161669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7548032
• LogD (pH = 7.4): 1.7711558
• Log P: 1.7713684
• Molar Refractivity: 54.2251 cm^3
• Polarizability: 20.43994 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false