4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline

C11H8BrCl2NS — CID 28993157

IUPAC4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1ccsc1
InChIInChI=1S/C11H8BrCl2NS/c12-8-3-9(13)11(10(14)4-8)15-5-7-1-2-16-6-7/h1-4,6,15H,5H2
InChIKeyZTWWBOWLKUJHIV-UHFFFAOYSA-N
MW337.07 g/mol
LogP5.43
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 28993157) has the molecular formula C11H8BrCl2NS and a molecular weight of 337.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
PubChem CID28993157
Molecular FormulaC11H8BrCl2NS
Molecular Weight337.07 g/mol
Exact Mass334.89
IUPAC Name4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1ccsc1
InChIInChI=1S/C11H8BrCl2NS/c12-8-3-9(13)11(10(14)4-8)15-5-7-1-2-16-6-7/h1-4,6,15H,5H2
InChIKeyZTWWBOWLKUJHIV-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.07
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)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-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
CID 43646117
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
CID 28992923
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149
3-bromo-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 65489410
3-bromo-5-methoxy-N-(thiophen-3-ylmethyl)aniline
CID 82858320
3-bromo-5-(thiophen-3-ylmethylamino)benzoic acid
CID 102822963
4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol
CID 28993144
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline (CID 28993157) is 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCc1ccsc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is ZTWWBOWLKUJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NS/c12-8-3-9(13)11(10(14)4-8)15-5-7-1-2-16-6-7/h1-4,6,15H,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 337.07 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 28993157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).