3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol

C16H22N2OS — CID 82074199

IUPAC3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1cccs1
InChIInChI=1S/C16H22N2OS/c1-2-18(11-7-14-5-9-17-10-6-14)12-8-15(19)16-4-3-13-20-16/h3-6,9-10,13,15,19H,2,7-8,11-12H2,1H3
InChIKeyLHXHJNFWZTXOBR-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.13
Rot. Bonds8

About 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol

3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol (PubChem CID 82074199) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
PubChem CID82074199
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1cccs1
InChIInChI=1S/C16H22N2OS/c1-2-18(11-7-14-5-9-17-10-6-14)12-8-15(19)16-4-3-13-20-16/h3-6,9-10,13,15,19H,2,7-8,11-12H2,1H3
InChIKeyLHXHJNFWZTXOBR-UHFFFAOYSA-N
XLogP3.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 82074473
2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol
CID 82216622
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 54945196
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol (CID 82074199) is 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol is CCN(CCc1ccncc1)CCC(O)c1cccs1.
What is the InChIKey of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is LHXHJNFWZTXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-18(11-7-14-5-9-17-10-6-14)12-8-15(19)16-4-3-13-20-16/h3-6,9-10,13,15,19H,2,7-8,11-12H2,1H3.
What are the key properties of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol?
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82074199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).