N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline

C12H9BrF3NS — CID 28972863

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cc(Br)cs1
InChIInChI=1S/C12H9BrF3NS/c13-8-5-9(18-7-8)6-17-11-4-2-1-3-10(11)12(14,15)16/h1-5,7,17H,6H2
InChIKeyUICZCLYKIWVJFY-UHFFFAOYSA-N
MW336.18 g/mol
LogP5.14
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline

N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 28972863) has the molecular formula C12H9BrF3NS and a molecular weight of 336.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID28972863
Molecular FormulaC12H9BrF3NS
Molecular Weight336.18 g/mol
Exact Mass334.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cc(Br)cs1
InChIInChI=1S/C12H9BrF3NS/c13-8-5-9(18-7-8)6-17-11-4-2-1-3-10(11)12(14,15)16/h1-5,7,17H,6H2
InChIKeyUICZCLYKIWVJFY-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.18
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxyaniline
CID 28972860
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43743059
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232
1-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzene-1,2-diamine
CID 104834597
4-[(4-bromothiophen-2-yl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 63902497
N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
CID 43721999
N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
N-[(4-bromothiophen-2-yl)methyl]-2,4-dimethylaniline
CID 28972836

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline (CID 28972863) is N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is UICZCLYKIWVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NS/c13-8-5-9(18-7-8)6-17-11-4-2-1-3-10(11)12(14,15)16/h1-5,7,17H,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 336.18 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 28972863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).