2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline

C12H10Cl3NS — CID 28992364

IUPAC2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C12H10Cl3NS/c1-7-2-3-9(17-7)6-16-12-10(14)4-8(13)5-11(12)15/h2-5,16H,6H2,1H3
InChIKeyVELJKYJPAFMNAT-UHFFFAOYSA-N
MW306.65 g/mol
LogP5.63
Rot. Bonds3

About 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline

2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 28992364) has the molecular formula C12H10Cl3NS and a molecular weight of 306.65 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID28992364
Molecular FormulaC12H10Cl3NS
Molecular Weight306.65 g/mol
Exact Mass304.96
IUPAC Name2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C12H10Cl3NS/c1-7-2-3-9(17-7)6-16-12-10(14)4-8(13)5-11(12)15/h2-5,16H,6H2,1H3
InChIKeyVELJKYJPAFMNAT-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]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

N-[(5-bromothiophen-2-yl)methyl]-2,4,6-trichloroaniline
CID 28992400
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218
3-chloro-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 115743708
4-chloro-3-fluoro-2-N-[(5-methylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 114271108
methyl 5-amino-3-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 107195585
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
3,5-dichloro-2-N-ethyl-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 102757761
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
2,4,6-trichloro-N-[(4-chlorothiophen-2-yl)methyl]aniline
CID 79420568
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 65316186
4-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 43681437

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 28992364) is 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is VELJKYJPAFMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NS/c1-7-2-3-9(17-7)6-16-12-10(14)4-8(13)5-11(12)15/h2-5,16H,6H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline?
2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 306.65 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 28992364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).