5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline

C13H14ClNS — CID 43109746

IUPAC5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1ccc(Cl)cc1NC(C)c1cccs1
InChIInChI=1S/C13H14ClNS/c1-9-5-6-11(14)8-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3
InChIKeyUZQHLYVJBRKPPZ-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.88
Rot. Bonds3

About 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline

5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43109746) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43109746
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1ccc(Cl)cc1NC(C)c1cccs1
InChIInChI=1S/C13H14ClNS/c1-9-5-6-11(14)8-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3
InChIKeyUZQHLYVJBRKPPZ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-methyl-N-(1-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

4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1-thiophen-2-ylethyl)aniline
CID 43691085
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 8791826
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline (CID 43109746) is 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline is Cc1ccc(Cl)cc1NC(C)c1cccs1.
What is the InChIKey of 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is UZQHLYVJBRKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-5-6-11(14)8-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 251.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43109746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).