2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol

C11H13NOS — CID 112546011

IUPAC2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol
SMILESCNCCc1sc2ccccc2c1O
InChIInChI=1S/C11H13NOS/c1-12-7-6-10-11(13)8-4-2-3-5-9(8)14-10/h2-5,12-13H,6-7H2,1H3
InChIKeyKBTAPAHZIBGGMF-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol

2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol (PubChem CID 112546011) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol
PubChem CID112546011
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol
SMILESCNCCc1sc2ccccc2c1O
InChIInChI=1S/C11H13NOS/c1-12-7-6-10-11(13)8-4-2-3-5-9(8)14-10/h2-5,12-13H,6-7H2,1H3
InChIKeyKBTAPAHZIBGGMF-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol?
The IUPAC name of 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol (CID 112546011) is 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol?
The canonical SMILES for 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol is CNCCc1sc2ccccc2c1O.
What is the InChIKey of 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol?
The InChIKey is KBTAPAHZIBGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12-7-6-10-11(13)8-4-2-3-5-9(8)14-10/h2-5,12-13H,6-7H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol?
2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol has a molecular weight of 207.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol is sourced from PubChem (CID 112546011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).