1-(7-methoxy-1-benzofuran-2-yl)ethan-1-amine

• ChemBase ID: 255339
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: o1c(cc2c1c(OC)ccc2)C(N)C
• Canonical SMILES: COc1cccc2c1oc(c2)C(N)C
• InChI: InChI=1S/C11H13NO2/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-7H,12H2,1-2H3
• InChIKey: PFEISIOSEZWORR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(7-methoxy-1-benzofuran-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(7-methoxy-1-benzofuran-2-yl)ethanamine
• Synonyms: 1-(7-methoxy-1-benzofuran-2-yl)ethanamine

Database IDs

• MDL Number: MFCD05215258
• PubChem SID: 164311249
• PubChem CID: 4539933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1617323
• LogD (pH = 7.4): 0.49150243
• Log P: 1.4370426
• Molar Refractivity: 54.132 cm^3
• Polarizability: 22.451906 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.882

Product Information

• Purity: 95%