2-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-amine

• ChemBase ID: 274919
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12c(OCC2)ccc(c1)CCN
• Canonical SMILES: NCCc1ccc2c(c1)CCO2
• InChI: InChI=1S/C10H13NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6,11H2
• InChIKey: GDRWGOBKFDGTJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
• Synonyms: 2-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD08448937
• PubChem SID: 164330829
• PubChem CID: 16788767

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7414159
• LogD (pH = 7.4): -1.0577545
• Log P: 1.2698927
• Molar Refractivity: 49.0592 cm^3
• Polarizability: 19.017326 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.337

Product Information

• Purity: 95%