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

C14H19NO2S — CID 3076646

IUPAC1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol
SMILESCN(C)CCOCC(O)c1ccc2sccc2c1
InChIInChI=1S/C14H19NO2S/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
InChIKeyKKKHPJYEIPYERC-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.51
Rot. Bonds6

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

1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol (PubChem CID 3076646) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol
PubChem CID3076646
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol
SMILESCN(C)CCOCC(O)c1ccc2sccc2c1
InChIInChI=1S/C14H19NO2S/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
InChIKeyKKKHPJYEIPYERC-UHFFFAOYSA-N
XLogP2.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
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-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol?
The IUPAC name of 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol (CID 3076646) is 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol is CN(C)CCOCC(O)c1ccc2sccc2c1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol?
The InChIKey is KKKHPJYEIPYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/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.
What are the key properties of 1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol?
1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol has a molecular weight of 265.38 g/mol, XLogP of 2.51, 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 is sourced from PubChem (CID 3076646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).