N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine

C13H15F3N2S — CID 172578416

IUPACN,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(SC(F)(F)F)cc12
InChIInChI=1S/C13H15F3N2S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)19-13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyLLQVITKTRJVOTH-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.88
Rot. Bonds4

About N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine (PubChem CID 172578416) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
PubChem CID172578416
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(SC(F)(F)F)cc12
InChIInChI=1S/C13H15F3N2S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)19-13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyLLQVITKTRJVOTH-UHFFFAOYSA-N
XLogP3.88
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578423
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
CID 176862279
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
CID 172624964
3,3,3-trifluoro-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 172624961
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1H-imidazol-2-amine
CID 151022593

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine (CID 172578416) is N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(SC(F)(F)F)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine?
The InChIKey is LLQVITKTRJVOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)19-13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine has a molecular weight of 288.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 172578416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).