2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol

C16H23NO2S — CID 22666350

IUPAC2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOCCc1ccc2sccc2c1
InChIInChI=1S/C16H23NO2S/c1-2-17(7-9-18)8-11-19-10-5-14-3-4-16-15(13-14)6-12-20-16/h3-4,6,12-13,18H,2,5,7-11H2,1H3
InChIKeySZTZCXJBJLYFCL-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.77
Rot. Bonds9

About 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol

2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol (PubChem CID 22666350) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
PubChem CID22666350
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOCCc1ccc2sccc2c1
InChIInChI=1S/C16H23NO2S/c1-2-17(7-9-18)8-11-19-10-5-14-3-4-16-15(13-14)6-12-20-16/h3-4,6,12-13,18H,2,5,7-11H2,1H3
InChIKeySZTZCXJBJLYFCL-UHFFFAOYSA-N
XLogP2.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol (CID 22666350) is 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol is CCN(CCO)CCOCCc1ccc2sccc2c1.
What is the InChIKey of 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol?
The InChIKey is SZTZCXJBJLYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-17(7-9-18)8-11-19-10-5-14-3-4-16-15(13-14)6-12-20-16/h3-4,6,12-13,18H,2,5,7-11H2,1H3.
What are the key properties of 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol?
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol has a molecular weight of 293.43 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol is sourced from PubChem (CID 22666350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).