1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride

C14H20ClNO2S — CID 3076645

IUPAC1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1ccc2sccc2c1.Cl
InChIInChI=1S/C14H19NO2S.ClH/c1-15(2)6-7-17-10-13(16)11-3-4-14-12(9-11)5-8-18-14;/h3-5,8-9,13,16H,6-7,10H2,1-2H3;1H
InChIKeyHCLIFWZTTKDJGO-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.93
Rot. Bonds6

About 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride

1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride (PubChem CID 3076645) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
PubChem CID3076645
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1ccc2sccc2c1.Cl
InChIInChI=1S/C14H19NO2S.ClH/c1-15(2)6-7-17-10-13(16)11-3-4-14-12(9-11)5-8-18-14;/h3-5,8-9,13,16H,6-7,10H2,1-2H3;1H
InChIKeyHCLIFWZTTKDJGO-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride 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 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride (CID 3076645) is 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride is CN(C)CCOCC(O)c1ccc2sccc2c1.Cl.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
The InChIKey is HCLIFWZTTKDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S.ClH/c1-15(2)6-7-17-10-13(16)11-3-4-14-12(9-11)5-8-18-14;/h3-5,8-9,13,16H,6-7,10H2,1-2H3;1H.
What are the key properties of 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride has a molecular weight of 301.84 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 3076645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).