2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol

C11H13NOS — CID 116987511

IUPAC2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol
SMILESCc1sc2ccccc2c1C(O)CN
InChIInChI=1S/C11H13NOS/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5,9,13H,6,12H2,1H3
InChIKeyZSQMCKZCFKDTLI-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.20
Rot. Bonds2

About 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol

2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol (PubChem CID 116987511) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol
PubChem CID116987511
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol
SMILESCc1sc2ccccc2c1C(O)CN
InChIInChI=1S/C11H13NOS/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5,9,13H,6,12H2,1H3
InChIKeyZSQMCKZCFKDTLI-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol (CID 116987511) is 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol is Cc1sc2ccccc2c1C(O)CN.
What is the InChIKey of 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol?
The InChIKey is ZSQMCKZCFKDTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-11(9(13)6-12)8-4-2-3-5-10(8)14-7/h2-5,9,13H,6,12H2,1H3.
What are the key properties of 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol?
2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol has a molecular weight of 207.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 116987511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).