2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine

C14H17ClN2S — CID 105135284

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cccnc1C
InChIInChI=1S/C14H17ClN2S/c1-3-16-13(9-11-6-7-14(15)18-11)12-5-4-8-17-10(12)2/h4-8,13,16H,3,9H2,1-2H3
InChIKeyZSCKHFSFBKYSJJ-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.00
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105135284) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105135284
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cccnc1C
InChIInChI=1S/C14H17ClN2S/c1-3-16-13(9-11-6-7-14(15)18-11)12-5-4-8-17-10(12)2/h4-8,13,16H,3,9H2,1-2H3
InChIKeyZSCKHFSFBKYSJJ-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031624
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105136035
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine (CID 105135284) is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine is CCNC(Cc1ccc(Cl)s1)c1cccnc1C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is ZSCKHFSFBKYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-16-13(9-11-6-7-14(15)18-11)12-5-4-8-17-10(12)2/h4-8,13,16H,3,9H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 280.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105135284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).