2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol

C14H19NO2S — CID 81148071

IUPAC2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cccc2ccsc12
InChIInChI=1S/C14H19NO2S/c1-14(16,10-15-7-8-17-2)12-5-3-4-11-6-9-18-13(11)12/h3-6,9,15-16H,7-8,10H2,1-2H3
InChIKeyFXLPFMSIXSKLEN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.34
Rot. Bonds6

About 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol

2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 81148071) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID81148071
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cccc2ccsc12
InChIInChI=1S/C14H19NO2S/c1-14(16,10-15-7-8-17-2)12-5-3-4-11-6-9-18-13(11)12/h3-6,9,15-16H,7-8,10H2,1-2H3
InChIKeyFXLPFMSIXSKLEN-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol (CID 81148071) is 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1cccc2ccsc12.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is FXLPFMSIXSKLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(16,10-15-7-8-17-2)12-5-3-4-11-6-9-18-13(11)12/h3-6,9,15-16H,7-8,10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol?
2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 265.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 81148071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).