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

C12H10Cl3NS — CID 43439175

IUPAC2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H10Cl3NS/c1-7(10-5-6-11(14)17-10)16-9-4-2-3-8(13)12(9)15/h2-7,16H,1H3
InChIKeyAJXHCHWXENOYKL-UHFFFAOYSA-N
MW306.65 g/mol
LogP5.88
Rot. Bonds3

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

2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline (PubChem CID 43439175) has the molecular formula C12H10Cl3NS and a molecular weight of 306.65 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
PubChem CID43439175
Molecular FormulaC12H10Cl3NS
Molecular Weight306.65 g/mol
Exact Mass304.96
IUPAC Name2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H10Cl3NS/c1-7(10-5-6-11(14)17-10)16-9-4-2-3-8(13)12(9)15/h2-7,16H,1H3
InChIKeyAJXHCHWXENOYKL-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

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Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 114909675
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43438953
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
CID 113332730
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline (CID 43439175) is 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline is CC(Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1.
What is the InChIKey of 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The InChIKey is AJXHCHWXENOYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NS/c1-7(10-5-6-11(14)17-10)16-9-4-2-3-8(13)12(9)15/h2-7,16H,1H3.
What are the key properties of 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
2,3-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 2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43439175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).