4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline

C13H10Br2F3NS — CID 60792050

IUPAC4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Br)cc1C(F)(F)F)c1sccc1Br
InChIInChI=1S/C13H10Br2F3NS/c1-7(12-10(15)4-5-20-12)19-11-3-2-8(14)6-9(11)13(16,17)18/h2-7,19H,1H3
InChIKeyDILXOINBPKQBDK-UHFFFAOYSA-N
MW429.10 g/mol
LogP6.47
Rot. Bonds3

About 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline

4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 60792050) has the molecular formula C13H10Br2F3NS and a molecular weight of 429.10 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID60792050
Molecular FormulaC13H10Br2F3NS
Molecular Weight429.10 g/mol
Exact Mass426.89
IUPAC Name4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Br)cc1C(F)(F)F)c1sccc1Br
InChIInChI=1S/C13H10Br2F3NS/c1-7(12-10(15)4-5-20-12)19-11-3-2-8(14)6-9(11)13(16,17)18/h2-7,19H,1H3
InChIKeyDILXOINBPKQBDK-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.10
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline 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

4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylaniline
CID 43758862
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107354244
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63751601
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2,5-difluoroaniline
CID 107609332
4-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63990811
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
3-bromo-4-[1-(3-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 43790989
2-[4-bromo-2-(trifluoromethyl)anilino]-4-methylpentan-1-ol
CID 65485566
4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65197070
N-[1-(3-bromothiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43787401
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
3-N-[1-(3-bromothiophen-2-yl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784239

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline (CID 60792050) is 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline is CC(Nc1ccc(Br)cc1C(F)(F)F)c1sccc1Br.
What is the InChIKey of 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is DILXOINBPKQBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2F3NS/c1-7(12-10(15)4-5-20-12)19-11-3-2-8(14)6-9(11)13(16,17)18/h2-7,19H,1H3.
What are the key properties of 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline?
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 429.10 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 60792050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).