3,3-dimethyl-2,3-dihydro-1H-indol-6-amine

• ChemBase ID: 286941
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: Nc1cc2c(cc1)C(C)(C)CN2
• Canonical SMILES: Nc1ccc2c(c1)NCC2(C)C
• InChI: InChI=1S/C10H14N2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,12H,6,11H2,1-2H3
• InChIKey: OVSRQUPJJIAWID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 3,3-dimethyl-1,2-dihydroindol-6-amine
• Synonyms: 3,3-Dimethylindolin-6-amine

Database IDs

• CAS Number: 179898-73-8
• MDL Number: MFCD11053507
• PubChem SID: 180672472
• PubChem CID: 23433468

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2075734
• LogD (pH = 7.4): 1.3969188
• Log P: 1.3999602
• Molar Refractivity: 53.1315 cm^3
• Polarizability: 19.17617 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%