2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol

C13H17NO2S — CID 825753

IUPAC2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1csc2ccccc12
InChIInChI=1S/C13H17NO2S/c15-7-5-14(6-8-16)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,10,15-16H,5-9H2
InChIKeyOITQNBLXSYVVRW-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.69
Rot. Bonds6

About 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol

2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 825753) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol
PubChem CID825753
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1csc2ccccc12
InChIInChI=1S/C13H17NO2S/c15-7-5-14(6-8-16)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,10,15-16H,5-9H2
InChIKeyOITQNBLXSYVVRW-UHFFFAOYSA-N
XLogP1.69
TPSA43.70 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol (CID 825753) is 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1csc2ccccc12.
What is the InChIKey of 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is OITQNBLXSYVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-7-5-14(6-8-16)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,10,15-16H,5-9H2.
What are the key properties of 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol?
2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 251.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzothiophen-3-ylmethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 825753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).