1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol

C13H17NO2S — CID 3076663

IUPAC1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol
SMILESCNCCOCC(O)c1cc2ccccc2s1
InChIInChI=1S/C13H17NO2S/c1-14-6-7-16-9-11(15)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14-15H,6-7,9H2,1H3
InChIKeyBKOFNNQGGVKXDO-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.17
Rot. Bonds6

About 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol

1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol (PubChem CID 3076663) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol
PubChem CID3076663
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol
SMILESCNCCOCC(O)c1cc2ccccc2s1
InChIInChI=1S/C13H17NO2S/c1-14-6-7-16-9-11(15)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14-15H,6-7,9H2,1H3
InChIKeyBKOFNNQGGVKXDO-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol (CID 3076663) is 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol is CNCCOCC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol?
The InChIKey is BKOFNNQGGVKXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-14-6-7-16-9-11(15)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14-15H,6-7,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol?
1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol has a molecular weight of 251.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-[2-(methylamino)ethoxy]ethanol is sourced from PubChem (CID 3076663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).