N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine

C12H11Cl2NS — CID 66351684

IUPACN-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NS/c1-8(15-10-4-5-16-7-10)11-3-2-9(13)6-12(11)14/h2-8,15H,1H3
InChIKeyOPJHMVZDJYJLLL-UHFFFAOYSA-N
MW272.20 g/mol
LogP5.23
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine

N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine (PubChem CID 66351684) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
PubChem CID66351684
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NS/c1-8(15-10-4-5-16-7-10)11-3-2-9(13)6-12(11)14/h2-8,15H,1H3
InChIKeyOPJHMVZDJYJLLL-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.20
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55033046
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
CID 66352112
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-4-nitroaniline
CID 82865314
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
CID 82858118
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine (CID 66351684) is N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine is CC(Nc1ccsc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine?
The InChIKey is OPJHMVZDJYJLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c1-8(15-10-4-5-16-7-10)11-3-2-9(13)6-12(11)14/h2-8,15H,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine?
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine has a molecular weight of 272.20 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine is sourced from PubChem (CID 66351684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).