2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline

C12H11Cl2NS — CID 63773799

IUPAC2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
SMILESClc1ccc(NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-4-12(11(14)8-9)15-6-5-10-2-1-7-16-10/h1-4,7-8,15H,5-6H2
InChIKeyDAFZWCJUDBILEZ-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.71
Rot. Bonds4

About 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline

2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63773799) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63773799
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
SMILESClc1ccc(NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-4-12(11(14)8-9)15-6-5-10-2-1-7-16-10/h1-4,7-8,15H,5-6H2
InChIKeyDAFZWCJUDBILEZ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-N-(2-thiophen-2-ylethyl)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

2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 3413685
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 55446616
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
3-amino-4-(2-thiophen-2-ylethylamino)benzamide
CID 43382673
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
CID 43322707

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline (CID 63773799) is 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline is Clc1ccc(NCCc2cccs2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is DAFZWCJUDBILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-9-3-4-12(11(14)8-9)15-6-5-10-2-1-7-16-10/h1-4,7-8,15H,5-6H2.
What are the key properties of 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline?
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 272.20 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63773799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).