4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline

C14H15Cl2NO2S — CID 43438946

IUPAC4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Cl)s2)c(OC)cc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c1-8(13-4-5-14(16)20-13)17-10-7-11(18-2)9(15)6-12(10)19-3/h4-8,17H,1-3H3
InChIKeyCHZDJRWIDHOMSJ-UHFFFAOYSA-N
MW332.25 g/mol
LogP5.25
Rot. Bonds5

About 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline

4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline (PubChem CID 43438946) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
PubChem CID43438946
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Cl)s2)c(OC)cc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c1-8(13-4-5-14(16)20-13)17-10-7-11(18-2)9(15)6-12(10)19-3/h4-8,17H,1-3H3
InChIKeyCHZDJRWIDHOMSJ-UHFFFAOYSA-N
XLogP5.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.25
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline 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-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethoxyaniline
CID 43438965
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699631
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
methyl 4-chloro-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43714756
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 43678129
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline (CID 43438946) is 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline is COc1cc(NC(C)c2ccc(Cl)s2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is CHZDJRWIDHOMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c1-8(13-4-5-14(16)20-13)17-10-7-11(18-2)9(15)6-12(10)19-3/h4-8,17H,1-3H3.
What are the key properties of 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 332.25 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43438946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).