1-(1-benzofuran-3-yl)ethan-1-amine

• ChemBase ID: 243672
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: c1(coc2c1cccc2)C(N)C
• Canonical SMILES: CC(c1coc2c1cccc2)N
• InChI: InChI=1S/C10H11NO/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-7H,11H2,1H3
• InChIKey: IMDAWZCPOGRWLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1-benzofuran-3-yl)ethanamine
• Synonyms: 1-(1-benzofuran-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD18656745
• PubChem SID: 164299582
• PubChem CID: 55293526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3034157
• LogD (pH = 7.4): -0.29328382
• Log P: 1.6747127
• Molar Refractivity: 47.7913 cm^3
• Polarizability: 19.97058 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.963

Product Information

• Purity: 95%