1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine

C13H16N2S — CID 43195171

IUPAC1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCC(NCCc1cccs1)c1ccncc1
InChIInChI=1S/C13H16N2S/c1-11(12-4-7-14-8-5-12)15-9-6-13-3-2-10-16-13/h2-5,7-8,10-11,15H,6,9H2,1H3
InChIKeyOHPPYOWFDGJWIX-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.04
Rot. Bonds5

About 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine

1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 43195171) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID43195171
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCC(NCCc1cccs1)c1ccncc1
InChIInChI=1S/C13H16N2S/c1-11(12-4-7-14-8-5-12)15-9-6-13-3-2-10-16-13/h2-5,7-8,10-11,15H,6,9H2,1H3
InChIKeyOHPPYOWFDGJWIX-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115654583
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61437034
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine (CID 43195171) is 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine is CC(NCCc1cccs1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is OHPPYOWFDGJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-11(12-4-7-14-8-5-12)15-9-6-13-3-2-10-16-13/h2-5,7-8,10-11,15H,6,9H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine?
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 43195171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).