2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

C11H17NO2S — CID 83985483

IUPAC2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCOC1CCCc2sc(C(N)CO)cc21
InChIInChI=1S/C11H17NO2S/c1-14-9-3-2-4-10-7(9)5-11(15-10)8(12)6-13/h5,8-9,13H,2-4,6,12H2,1H3
InChIKeyFQLDVBYOSSBHRR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (PubChem CID 83985483) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
PubChem CID83985483
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCOC1CCCc2sc(C(N)CO)cc21
InChIInChI=1S/C11H17NO2S/c1-14-9-3-2-4-10-7(9)5-11(15-10)8(12)6-13/h5,8-9,13H,2-4,6,12H2,1H3
InChIKeyFQLDVBYOSSBHRR-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (CID 83985483) is 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is COC1CCCc2sc(C(N)CO)cc21.
What is the InChIKey of 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is FQLDVBYOSSBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-9-3-2-4-10-7(9)5-11(15-10)8(12)6-13/h5,8-9,13H,2-4,6,12H2,1H3.
What are the key properties of 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 83985483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).