1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol

C13H15NOS — CID 81146469

IUPAC1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
SMILESOC(CNC1CC1)c1cccc2ccsc12
InChIInChI=1S/C13H15NOS/c15-12(8-14-10-4-5-10)11-3-1-2-9-6-7-16-13(9)11/h1-3,6-7,10,12,14-15H,4-5,8H2
InChIKeyUKNCCVPGNCAGRE-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.69
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol

1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol (PubChem CID 81146469) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
PubChem CID81146469
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
SMILESOC(CNC1CC1)c1cccc2ccsc12
InChIInChI=1S/C13H15NOS/c15-12(8-14-10-4-5-10)11-3-1-2-9-6-7-16-13(9)11/h1-3,6-7,10,12,14-15H,4-5,8H2
InChIKeyUKNCCVPGNCAGRE-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019176
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
CID 81152861
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
CID 81153991
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol (CID 81146469) is 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol is OC(CNC1CC1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol?
The InChIKey is UKNCCVPGNCAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-12(8-14-10-4-5-10)11-3-1-2-9-6-7-16-13(9)11/h1-3,6-7,10,12,14-15H,4-5,8H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol?
1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol has a molecular weight of 233.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 81146469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).