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

C14H21F3N2S — CID 106432349

IUPAC2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCSC(F)(F)F)CC(C)(C)CC2N
InChIInChI=1S/C14H21F3N2S/c1-9-6-10-11(18)7-13(2,3)8-12(10)19(9)4-5-20-14(15,16)17/h6,11H,4-5,7-8,18H2,1-3H3
InChIKeyBXUHYIONUAJDLT-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.02
Rot. Bonds3

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

2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 106432349) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID106432349
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCSC(F)(F)F)CC(C)(C)CC2N
InChIInChI=1S/C14H21F3N2S/c1-9-6-10-11(18)7-13(2,3)8-12(10)19(9)4-5-20-14(15,16)17/h6,11H,4-5,7-8,18H2,1-3H3
InChIKeyBXUHYIONUAJDLT-UHFFFAOYSA-N
XLogP4.02
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine (CID 106432349) is 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1CCSC(F)(F)F)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is BXUHYIONUAJDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-9-6-10-11(18)7-13(2,3)8-12(10)19(9)4-5-20-14(15,16)17/h6,11H,4-5,7-8,18H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 306.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106432349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).