[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine

C12H13F3N2S — CID 116627096

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine
SMILESNCc1cc2ccccc2n1CCSC(F)(F)F
InChIInChI=1S/C12H13F3N2S/c13-12(14,15)18-6-5-17-10(8-16)7-9-3-1-2-4-11(9)17/h1-4,7H,5-6,8,16H2
InChIKeyMZHNFJDNKJYSJE-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.35
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine

[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine (PubChem CID 116627096) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine
PubChem CID116627096
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine
SMILESNCc1cc2ccccc2n1CCSC(F)(F)F
InChIInChI=1S/C12H13F3N2S/c13-12(14,15)18-6-5-17-10(8-16)7-9-3-1-2-4-11(9)17/h1-4,7H,5-6,8,16H2
InChIKeyMZHNFJDNKJYSJE-UHFFFAOYSA-N
XLogP3.35
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine
CID 104567532
3-amino-2-[2-(trifluoromethylsulfanyl)ethyl]isoquinolin-1-one
CID 106432222
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 116626955
2-(chloromethyl)-4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 106431948
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 114188217
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine
CID 64799410
2-(2-chloroethyl)-4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 106432078
2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine
CID 116618047
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
CID 79549808
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole-4-carboxylic acid
CID 106432165

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine (CID 116627096) is [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine is NCc1cc2ccccc2n1CCSC(F)(F)F.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine?
The InChIKey is MZHNFJDNKJYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c13-12(14,15)18-6-5-17-10(8-16)7-9-3-1-2-4-11(9)17/h1-4,7H,5-6,8,16H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine?
[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine has a molecular weight of 274.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine is sourced from PubChem (CID 116627096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).