(1S)-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808632
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N[C@H]1CCc2c(c(ccc12)OC)OC
• Canonical SMILES: COc1c(OC)ccc2c1CC[C@@H]2N
• InChI: InChI=1S/C11H15NO2/c1-13-10-6-4-7-8(11(10)14-2)3-5-9(7)12/h4,6,9H,3,5,12H2,1-2H3/t9-/m0/s1
• InChIKey: ICXCASJKIQAMSF-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
• Synonyms: (S)-4,5-DIMETHOXY-INDAN-1-YLAMINE

Database IDs

• CAS Number: 168902-82-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6754609
• LogD (pH = 7.4): -0.88534206
• Log P: 1.327896
• Molar Refractivity: 55.0386 cm^3
• Polarizability: 21.60364 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%