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

C12H15NOS — CID 84687111

IUPAC2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol
SMILESCN(C)CCc1cc2cccc(O)c2s1
InChIInChI=1S/C12H15NOS/c1-13(2)7-6-10-8-9-4-3-5-11(14)12(9)15-10/h3-5,8,14H,6-7H2,1-2H3
InChIKeyUVDOYCKAFMFZFK-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.71
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol (PubChem CID 84687111) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol
PubChem CID84687111
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol
SMILESCN(C)CCc1cc2cccc(O)c2s1
InChIInChI=1S/C12H15NOS/c1-13(2)7-6-10-8-9-4-3-5-11(14)12(9)15-10/h3-5,8,14H,6-7H2,1-2H3
InChIKeyUVDOYCKAFMFZFK-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]-1-benzothiophen-7-ol
CID 84675578
2-trimethylsilyl-1-benzothiophen-7-ol
CID 10704292
N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine
CID 117186428
2-[2-(dimethylamino)ethyl]-1H-indol-7-ol
CID 84672474
2-[6-[2-(dimethylamino)ethyl]-2-pyridinyl]-N,N-dimethylethanamine
CID 23545476
N-methyl-3-(7-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 117196659
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]propan-2-one
CID 117196513
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
CID 167469231
2-ethyl-1-benzothiophene-7-carboxylic acid
CID 84674306
6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
CID 20541926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol (CID 84687111) is 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol is CN(C)CCc1cc2cccc(O)c2s1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol?
The InChIKey is UVDOYCKAFMFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-13(2)7-6-10-8-9-4-3-5-11(14)12(9)15-10/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol?
2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol has a molecular weight of 221.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol is sourced from PubChem (CID 84687111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).