2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine

C12H15NS — CID 25118

IUPAC2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-13(2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyQAPUMUJBYRYLGE-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.01
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine

2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine (PubChem CID 25118) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
PubChem CID25118
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-13(2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyQAPUMUJBYRYLGE-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
1-Benzothiophen-2-ylmethylamine
CID 237074
3-Methylbenzo[b]thiophene
CID 73817
Benzo[b]thiophene-3-acetonitrile
CID 76681
{2-[3-(4-Fluoro-benzyl)-benzo[b]thiophen-2-yl]-ethyl}-dimethyl-amine
CID 11544156
Benzo[b]thiophene-3-ethanamine
CID 26743
1-[3-(1-Benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
CID 57394127
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dimethyl-amine
CID 398363
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dibutyl-amine
CID 439053
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine
CID 618551
1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine (CID 25118) is 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine is CN(C)CCc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
The InChIKey is QAPUMUJBYRYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-13(2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine?
2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine has a molecular weight of 205.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 25118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).