4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808633
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C1C(c2cc(cc(c2C1)OC)OC)N
• Canonical SMILES: COc1cc(OC)c2c(c1)C(N)CC2
• InChI: InChI=1S/C11H15NO2/c1-13-7-5-9-8(3-4-10(9)12)11(6-7)14-2/h5-6,10H,3-4,12H2,1-2H3
• InChIKey: BMMIJBKOOXDOQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
• Synonyms: 4,6-DIMETHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 907973-37-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6698525
• LogD (pH = 7.4): -0.81882477
• Log P: 1.327896
• Molar Refractivity: 55.0386 cm^3
• Polarizability: 21.601484 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%