2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

C14H17ClN2OS — CID 112655672

IUPAC2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc(OC)cs1
InChIInChI=1S/C14H17ClN2OS/c1-3-17-13(14-7-11(18-2)9-19-14)6-10-4-5-16-8-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeyPUGMQELTSYEIAF-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 112655672) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID112655672
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc(OC)cs1
InChIInChI=1S/C14H17ClN2OS/c1-3-17-13(14-7-11(18-2)9-19-14)6-10-4-5-16-8-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeyPUGMQELTSYEIAF-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998879
2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 115984985
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
CID 115815103

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (CID 112655672) is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is CCNC(Cc1ccncc1Cl)c1cc(OC)cs1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is PUGMQELTSYEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-3-17-13(14-7-11(18-2)9-19-14)6-10-4-5-16-8-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 112655672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).