6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine

C13H19F3N2S — CID 106432351

IUPAC6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2CCSC(F)(F)F)C(N)C1
InChIInChI=1S/C13H19F3N2S/c1-12(2)7-10(17)9-3-4-18(11(9)8-12)5-6-19-13(14,15)16/h3-4,10H,5-8,17H2,1-2H3
InChIKeyXXJATVCVBNFUDV-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.71
Rot. Bonds3

About 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 106432351) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID106432351
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2CCSC(F)(F)F)C(N)C1
InChIInChI=1S/C13H19F3N2S/c1-12(2)7-10(17)9-3-4-18(11(9)8-12)5-6-19-13(14,15)16/h3-4,10H,5-8,17H2,1-2H3
InChIKeyXXJATVCVBNFUDV-UHFFFAOYSA-N
XLogP3.71
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine (CID 106432351) is 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2CCSC(F)(F)F)C(N)C1.
What is the InChIKey of 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is XXJATVCVBNFUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-12(2)7-10(17)9-3-4-18(11(9)8-12)5-6-19-13(14,15)16/h3-4,10H,5-8,17H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 292.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106432351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).