5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline

C13H11BrF3NS — CID 107286088

IUPAC5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCCc1ccsc1
InChIInChI=1S/C13H11BrF3NS/c14-10-1-2-11(13(15,16)17)12(7-10)18-5-3-9-4-6-19-8-9/h1-2,4,6-8,18H,3,5H2
InChIKeyFOXXNHKFVIOQRR-UHFFFAOYSA-N
MW350.20 g/mol
LogP5.18
Rot. Bonds4

About 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline

5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline (PubChem CID 107286088) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline
PubChem CID107286088
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCCc1ccsc1
InChIInChI=1S/C13H11BrF3NS/c14-10-1-2-11(13(15,16)17)12(7-10)18-5-3-9-4-6-19-8-9/h1-2,4,6-8,18H,3,5H2
InChIKeyFOXXNHKFVIOQRR-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.20
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 65343541
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 107285856
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 106418688
4-(2-thiophen-3-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711532
5-bromo-N-(2-prop-2-ynylsulfanylethyl)-2-(trifluoromethyl)aniline
CID 114187898
4-bromo-5-fluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 66110524
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
3-[5-bromo-2-(trifluoromethyl)anilino]propane-1-sulfonamide
CID 107286165

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline (CID 107286088) is 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Br)cc1NCCc1ccsc1.
What is the InChIKey of 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline?
The InChIKey is FOXXNHKFVIOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c14-10-1-2-11(13(15,16)17)12(7-10)18-5-3-9-4-6-19-8-9/h1-2,4,6-8,18H,3,5H2.
What are the key properties of 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline?
5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline has a molecular weight of 350.20 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).