N-methyl-2,3-dihydro-1-benzofuran-5-amine

• ChemBase ID: 238430
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c12c(OCC2)ccc(c1)NC
• Canonical SMILES: CNc1ccc2c(c1)CCO2
• InChI: InChI=1S/C9H11NO/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-3,6,10H,4-5H2,1H3
• InChIKey: LNHXGHOHECTHAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2,3-dihydro-1-benzofuran-5-amine
• IUPAC Traditional name: N-methyl-2,3-dihydro-1-benzofuran-5-amine
• Synonyms: N-methyl-2,3-dihydro-1-benzofuran-5-amine

Database IDs

• MDL Number: MFCD07785887
• PubChem SID: 164294340
• PubChem CID: 57423844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8811208
• LogD (pH = 7.4): 1.3184631
• Log P: 1.3282412
• Molar Refractivity: 46.0246 cm^3
• Polarizability: 16.859518 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.879

Product Information

• Purity: 95%