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

C13H16N2S — CID 81398579

IUPAC1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1cccs1)c1ccncc1
InChIInChI=1S/C13H16N2S/c1-10(12-5-7-14-8-6-12)15-11(2)13-4-3-9-16-13/h3-11,15H,1-2H3/t10?,11-/m1/s1
InChIKeyCBXGBLIELVJTFW-RRKGBCIJSA-N
MW232.35 g/mol
LogP3.55
Rot. Bonds4

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

1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81398579) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81398579
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1cccs1)c1ccncc1
InChIInChI=1S/C13H16N2S/c1-10(12-5-7-14-8-6-12)15-11(2)13-4-3-9-16-13/h3-11,15H,1-2H3/t10?,11-/m1/s1
InChIKeyCBXGBLIELVJTFW-RRKGBCIJSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 54898249
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (CID 81398579) is 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is CC(N[C@H](C)c1cccs1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is CBXGBLIELVJTFW-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(12-5-7-14-8-6-12)15-11(2)13-4-3-9-16-13/h3-11,15H,1-2H3/t10?,11-/m1/s1.
What are the key properties of 1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.55, 4 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-[(1R)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).