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

C12H19NO2S — CID 83985539

IUPAC2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCCOC1CCCc2sc(C(N)CO)cc21
InChIInChI=1S/C12H19NO2S/c1-2-15-10-4-3-5-11-8(10)6-12(16-11)9(13)7-14/h6,9-10,14H,2-5,7,13H2,1H3
InChIKeyYBGHFTVILKDVCH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.15
Rot. Bonds4

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

2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (PubChem CID 83985539) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
PubChem CID83985539
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCCOC1CCCc2sc(C(N)CO)cc21
InChIInChI=1S/C12H19NO2S/c1-2-15-10-4-3-5-11-8(10)6-12(16-11)9(13)7-14/h6,9-10,14H,2-5,7,13H2,1H3
InChIKeyYBGHFTVILKDVCH-UHFFFAOYSA-N
XLogP2.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.15
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-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (CID 83985539) is 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is CCOC1CCCc2sc(C(N)CO)cc21.
What is the InChIKey of 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is YBGHFTVILKDVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-15-10-4-3-5-11-8(10)6-12(16-11)9(13)7-14/h6,9-10,14H,2-5,7,13H2,1H3.
What are the key properties of 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 241.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 83985539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).