[3-(furan-2-yl)phenyl]methanamine

• ChemBase ID: 92591
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: o1cccc1c1cccc(c1)CN
• Canonical SMILES: NCc1cccc(c1)c1ccco1
• InChI: InChI=1S/C11H11NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H,8,12H2
• InChIKey: NCGHHPAVCSSDMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)phenyl]methanamine
• IUPAC Traditional name: [3-(furan-2-yl)phenyl]methanamine
• Synonyms: [3-(2-furyl)phenyl]methylamine; 2-[3-(Aminomethyl)phenyl]furan; 3-(Fur-2-yl)benzylamine; [3-(Fur-2-yl)phenyl]methylamine 97%

Database IDs

• CAS Number: 771573-26-3
• MDL Number: MFCD06213665
• PubChem SID: 162079289
• PubChem CID: 18525788

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.1670543
• LogD (pH = 7.4): -0.1277864
• Log P: 1.8064862
• Molar Refractivity: 52.0585 cm^3
• Polarizability: 21.584846 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Air Sensitive/Store under Argon

Product Information

• Purity: 97%