1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine

C12H15NS — CID 116914688

IUPAC1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
SMILESCC(c1csc2ccccc12)N(C)C
InChIInChI=1S/C12H15NS/c1-9(13(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyVIFQEUIRHRRELH-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.52
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine

1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine (PubChem CID 116914688) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
PubChem CID116914688
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
SMILESCC(c1csc2ccccc12)N(C)C
InChIInChI=1S/C12H15NS/c1-9(13(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyVIFQEUIRHRRELH-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine 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

3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
3-(dibromomethyl)-1-benzothiophene
CID 175195145
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)prop-2-yn-1-ol
CID 64914371
2-(1-benzothiophen-3-yl)-2-hydroxyacetonitrile
CID 62699836
1-(1-benzothiophen-3-yl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55225589
1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
CID 62699054
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine (CID 116914688) is 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine is CC(c1csc2ccccc12)N(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The InChIKey is VIFQEUIRHRRELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9(13(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine has a molecular weight of 205.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).