2-[(dimethylamino)methyl]-1-benzothiophen-7-ol

C11H13NOS — CID 84675578

IUPAC2-[(dimethylamino)methyl]-1-benzothiophen-7-ol
SMILESCN(C)Cc1cc2cccc(O)c2s1
InChIInChI=1S/C11H13NOS/c1-12(2)7-9-6-8-4-3-5-10(13)11(8)14-9/h3-6,13H,7H2,1-2H3
InChIKeyAFNJTJUMRZRGIT-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.67
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol

2-[(dimethylamino)methyl]-1-benzothiophen-7-ol (PubChem CID 84675578) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-benzothiophen-7-ol
PubChem CID84675578
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-[(dimethylamino)methyl]-1-benzothiophen-7-ol
SMILESCN(C)Cc1cc2cccc(O)c2s1
InChIInChI=1S/C11H13NOS/c1-12(2)7-9-6-8-4-3-5-10(13)11(8)14-9/h3-6,13H,7H2,1-2H3
InChIKeyAFNJTJUMRZRGIT-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol (CID 84675578) is 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol is CN(C)Cc1cc2cccc(O)c2s1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol?
The InChIKey is AFNJTJUMRZRGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12(2)7-9-6-8-4-3-5-10(13)11(8)14-9/h3-6,13H,7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol?
2-[(dimethylamino)methyl]-1-benzothiophen-7-ol has a molecular weight of 207.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-benzothiophen-7-ol is sourced from PubChem (CID 84675578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).