3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline

C12H10Cl3NS — CID 43438966

IUPAC3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H10Cl3NS/c1-7(11-2-3-12(15)17-11)16-10-5-8(13)4-9(14)6-10/h2-7,16H,1H3
InChIKeyCEODLFRPJMXPIT-UHFFFAOYSA-N
MW306.65 g/mol
LogP5.88
Rot. Bonds3

About 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline

3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline (PubChem CID 43438966) has the molecular formula C12H10Cl3NS and a molecular weight of 306.65 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
PubChem CID43438966
Molecular FormulaC12H10Cl3NS
Molecular Weight306.65 g/mol
Exact Mass304.96
IUPAC Name3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H10Cl3NS/c1-7(11-2-3-12(15)17-11)16-10-5-8(13)4-9(14)6-10/h2-7,16H,1H3
InChIKeyCEODLFRPJMXPIT-UHFFFAOYSA-N
XLogP5.88
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 ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]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-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyaniline
CID 82858247
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60931642
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643647
4-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 54954931

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline (CID 43438966) is 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline is CC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The InChIKey is CEODLFRPJMXPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NS/c1-7(11-2-3-12(15)17-11)16-10-5-8(13)4-9(14)6-10/h2-7,16H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline has a molecular weight of 306.65 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43438966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).