4,7-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 129242
• Molecular Formular: C17H27NO2
• Molecular Mass: 277.40178
• Monoisotopic Mass: 277.20417911
• SMILES: CCCN(CCC)C1Cc2c(ccc(c2C1)OC)OC
• Canonical SMILES: CCCN(C1Cc2c(C1)c(OC)ccc2OC)CCC
• InChI: InChI=1S/C17H27NO2/c1-5-9-18(10-6-2)13-11-14-15(12-13)17(20-4)8-7-16(14)19-3/h7-8,13H,5-6,9-12H2,1-4H3
• InChIKey: FPAHQTSJKYIURQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 4,7-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
• Synonyms: RDS-127

Database IDs

• CAS Number: 82668-32-4
• PubChem SID: 162223536
• PubChem CID: 134064
• Wikipedia Title: RDS-127

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27669466
• LogD (pH = 7.4): 1.0915444
• Log P: 3.7462776
• Molar Refractivity: 83.8071 cm^3
• Polarizability: 32.587944 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true