2-[1-benzothiophen-6-yl(methyl)amino]ethanol

C11H13NOS — CID 139315123

IUPAC2-[1-benzothiophen-6-yl(methyl)amino]ethanol
SMILESCN(CCO)c1ccc2ccsc2c1
InChIInChI=1S/C11H13NOS/c1-12(5-6-13)10-3-2-9-4-7-14-11(9)8-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeySTUJIBAQXCDKCA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.33
Rot. Bonds3

About 2-[1-benzothiophen-6-yl(methyl)amino]ethanol

2-[1-benzothiophen-6-yl(methyl)amino]ethanol (PubChem CID 139315123) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[1-benzothiophen-6-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-benzothiophen-6-yl(methyl)amino]ethanol
PubChem CID139315123
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-[1-benzothiophen-6-yl(methyl)amino]ethanol
SMILESCN(CCO)c1ccc2ccsc2c1
InChIInChI=1S/C11H13NOS/c1-12(5-6-13)10-3-2-9-4-7-14-11(9)8-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeySTUJIBAQXCDKCA-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzothiophen-6-yl(methyl)amino]ethanol?
The IUPAC name of 2-[1-benzothiophen-6-yl(methyl)amino]ethanol (CID 139315123) is 2-[1-benzothiophen-6-yl(methyl)amino]ethanol.
What is the SMILES notation for 2-[1-benzothiophen-6-yl(methyl)amino]ethanol?
The canonical SMILES for 2-[1-benzothiophen-6-yl(methyl)amino]ethanol is CN(CCO)c1ccc2ccsc2c1.
What is the InChIKey of 2-[1-benzothiophen-6-yl(methyl)amino]ethanol?
The InChIKey is STUJIBAQXCDKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12(5-6-13)10-3-2-9-4-7-14-11(9)8-10/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 2-[1-benzothiophen-6-yl(methyl)amino]ethanol?
2-[1-benzothiophen-6-yl(methyl)amino]ethanol has a molecular weight of 207.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzothiophen-6-yl(methyl)amino]ethanol is sourced from PubChem (CID 139315123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).