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

• ChemBase ID: 804519
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: C1C(c2ccc(cc2N1C)N)(C)C
• Canonical SMILES: Nc1ccc2c(c1)N(C)CC2(C)C
• InChI: InChI=1S/C11H16N2/c1-11(2)7-13(3)10-6-8(12)4-5-9(10)11/h4-6H,7,12H2,1-3H3
• InChIKey: XIYSAKATDDLWPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trimethyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 1,3,3-trimethyl-2H-indol-6-amine
• Synonyms: 1,3,3-TRIMETHYLINDOLIN-6-AMINE

Database IDs

• CAS Number: 545393-67-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8568933
• LogD (pH = 7.4): 2.0324552
• Log P: 2.0352259
• Molar Refractivity: 57.3663 cm^3
• Polarizability: 21.021103 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%