1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine

C13H14Cl2N2S — CID 112749578

IUPAC1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-2-16-11(8-12-9(14)5-7-18-12)13-10(15)4-3-6-17-13/h3-7,11,16H,2,8H2,1H3
InChIKeyVBLVIRLSGDVEKP-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.34
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine

1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 112749578) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID112749578
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-2-16-11(8-12-9(14)5-7-18-12)13-10(15)4-3-6-17-13/h3-7,11,16H,2,8H2,1H3
InChIKeyVBLVIRLSGDVEKP-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 103444657
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444581
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444619
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 82730318
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine (CID 112749578) is 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1sccc1Cl)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is VBLVIRLSGDVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-2-16-11(8-12-9(14)5-7-18-12)13-10(15)4-3-6-17-13/h3-7,11,16H,2,8H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine?
1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 301.24 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 112749578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).