1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C14H17ClN2S — CID 103444550

IUPAC1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1ncccc1Cl
InChIInChI=1S/C14H17ClN2S/c1-2-16-13(6-5-11-7-9-18-10-11)14-12(15)4-3-8-17-14/h3-4,7-10,13,16H,2,5-6H2,1H3
InChIKeyARXURTRSORDOCA-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.08
Rot. Bonds6

About 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 103444550) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID103444550
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1ncccc1Cl
InChIInChI=1S/C14H17ClN2S/c1-2-16-13(6-5-11-7-9-18-10-11)14-12(15)4-3-8-17-14/h3-4,7-10,13,16H,2,5-6H2,1H3
InChIKeyARXURTRSORDOCA-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103444845
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 112749578
1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 103444550) is 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ARXURTRSORDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-2-16-13(6-5-11-7-9-18-10-11)14-12(15)4-3-8-17-14/h3-4,7-10,13,16H,2,5-6H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 280.82 g/mol, XLogP of 4.08, 6 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)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 103444550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).