4-(furan-2-ylmethoxy)aniline

• ChemBase ID: 17415
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c1(OCc2ccco2)ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)OCc1ccco1
• InChI: InChI=1S/C11H11NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-7H,8,12H2
• InChIKey: FLVOTBDSASKFPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-ylmethoxy)aniline
• IUPAC Traditional name: 4-(furan-2-ylmethoxy)aniline
• Synonyms: 4-(Furan-2-ylmethoxy)-phenylamine; 4-(2-furylmethoxy)aniline

Database IDs

• CAS Number: 179246-32-3
• MDL Number: MFCD04970976
• PubChem SID: 160980722
• PubChem CID: 3161670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6940093
• LogD (pH = 7.4): 1.7703024
• Log P: 1.7713684
• Molar Refractivity: 54.2251 cm^3
• Polarizability: 20.437815 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