ethanamine;ethane;thiophen-2-ylmethanol

C9H19NOS — CID 143500491

IUPACethanamine;ethane;thiophen-2-ylmethanol
SMILESCC.CCN.OCc1cccs1
InChIInChI=1S/C5H6OS.C2H7N.C2H6/c6-4-5-2-1-3-7-5;1-2-3;1-2/h1-3,6H,4H2;2-3H2,1H3;1-2H3
InChIKeyQHLLJHUWURIYDC-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.23
Rot. Bonds1

About ethanamine;ethane;thiophen-2-ylmethanol

ethanamine;ethane;thiophen-2-ylmethanol (PubChem CID 143500491) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is ethanamine;ethane;thiophen-2-ylmethanol.

Molecular Properties

Compound Nameethanamine;ethane;thiophen-2-ylmethanol
PubChem CID143500491
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Nameethanamine;ethane;thiophen-2-ylmethanol
SMILESCC.CCN.OCc1cccs1
InChIInChI=1S/C5H6OS.C2H7N.C2H6/c6-4-5-2-1-3-7-5;1-2-3;1-2/h1-3,6H,4H2;2-3H2,1H3;1-2H3
InChIKeyQHLLJHUWURIYDC-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl acetate;thiophen-2-ylmethanol
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2-(bromomethyl)thiophene
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ethane;2-pentylthiophene
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2-butylthiophene;methanamine
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N'-ethyl-2-thiophen-2-ylethanimidamide
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carbonochloridic acid;2-ethylthiophene
CID 88766829
3-thiophen-2-ylpropan-1-ol
CID 13109866
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;thiophen-2-ylmethanol?
The IUPAC name of ethanamine;ethane;thiophen-2-ylmethanol (CID 143500491) is ethanamine;ethane;thiophen-2-ylmethanol.
What is the SMILES notation for ethanamine;ethane;thiophen-2-ylmethanol?
The canonical SMILES for ethanamine;ethane;thiophen-2-ylmethanol is CC.CCN.OCc1cccs1.
What is the InChIKey of ethanamine;ethane;thiophen-2-ylmethanol?
The InChIKey is QHLLJHUWURIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.C2H7N.C2H6/c6-4-5-2-1-3-7-5;1-2-3;1-2/h1-3,6H,4H2;2-3H2,1H3;1-2H3.
What are the key properties of ethanamine;ethane;thiophen-2-ylmethanol?
ethanamine;ethane;thiophen-2-ylmethanol has a molecular weight of 189.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;thiophen-2-ylmethanol is sourced from PubChem (CID 143500491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).