2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol

C14H18N2OS — CID 82738388

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
SMILESCCc1cccnc1CNCC(O)c1cccs1
InChIInChI=1S/C14H18N2OS/c1-2-11-5-3-7-16-12(11)9-15-10-13(17)14-6-4-8-18-14/h3-8,13,15,17H,2,9-10H2,1H3
InChIKeyXNHSKOLISKIVOO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.53
Rot. Bonds6

About 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol

2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol (PubChem CID 82738388) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
PubChem CID82738388
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
SMILESCCc1cccnc1CNCC(O)c1cccs1
InChIInChI=1S/C14H18N2OS/c1-2-11-5-3-7-16-12(11)9-15-10-13(17)14-6-4-8-18-14/h3-8,13,15,17H,2,9-10H2,1H3
InChIKeyXNHSKOLISKIVOO-UHFFFAOYSA-N
XLogP2.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
CID 114472474
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 82738200
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol (CID 82738388) is 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol is CCc1cccnc1CNCC(O)c1cccs1.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol?
The InChIKey is XNHSKOLISKIVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-11-5-3-7-16-12(11)9-15-10-13(17)14-6-4-8-18-14/h3-8,13,15,17H,2,9-10H2,1H3.
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol?
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol has a molecular weight of 262.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 82738388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).