4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline

C12H12ClNS — CID 102765141

IUPAC4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
SMILESCc1cc(-c2cc(C)c(Cl)s2)ccc1N
InChIInChI=1S/C12H12ClNS/c1-7-5-9(3-4-10(7)14)11-6-8(2)12(13)15-11/h3-6H,14H2,1-2H3
InChIKeyIDQDPSKEYBCFGU-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.27
Rot. Bonds1

About 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline

4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline (PubChem CID 102765141) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
PubChem CID102765141
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
SMILESCc1cc(-c2cc(C)c(Cl)s2)ccc1N
InChIInChI=1S/C12H12ClNS/c1-7-5-9(3-4-10(7)14)11-6-8(2)12(13)15-11/h3-6H,14H2,1-2H3
InChIKeyIDQDPSKEYBCFGU-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline 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

5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
CID 102765138
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
CID 102765129
ethane;2-methyl-4-thiophen-2-ylaniline
CID 143928116
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
4-(2,6-dichlorophenyl)-2-methylaniline
CID 170906772
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765150
ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen
CID 143928123

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline?
The IUPAC name of 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline (CID 102765141) is 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline.
What is the SMILES notation for 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline?
The canonical SMILES for 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline is Cc1cc(-c2cc(C)c(Cl)s2)ccc1N.
What is the InChIKey of 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline?
The InChIKey is IDQDPSKEYBCFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-7-5-9(3-4-10(7)14)11-6-8(2)12(13)15-11/h3-6H,14H2,1-2H3.
What are the key properties of 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline?
4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline has a molecular weight of 237.76 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline is sourced from PubChem (CID 102765141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).