5,6-dimethoxy-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 800840
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: NC1CCc2cc(c(cc12)OC)OC
• Canonical SMILES: COc1cc2C(N)CCc2cc1OC
• InChI: InChI=1S/C11H15NO2/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6,9H,3-4,12H2,1-2H3
• InChIKey: PMFJDFRZFOSMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 5,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
• Synonyms: 5,6-Dimethoxy-indan-1-ylamine

Database IDs

• CAS Number: 91247-06-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6745983
• LogD (pH = 7.4): -0.87447494
• Log P: 1.327896
• Molar Refractivity: 55.0386 cm^3
• Polarizability: 21.602114 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%