2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine

C17H18N2S — CID 63737255

IUPAC2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1csc2ccccc12)c1ncccc1C
InChIInChI=1S/C17H18N2S/c1-12-6-5-9-19-17(12)15(18-2)10-13-11-20-16-8-4-3-7-14(13)16/h3-9,11,15,18H,10H2,1-2H3
InChIKeyQBTHCHIFOCGSKF-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.11
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine

2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 63737255) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
PubChem CID63737255
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1csc2ccccc12)c1ncccc1C
InChIInChI=1S/C17H18N2S/c1-12-6-5-9-19-17(12)15(18-2)10-13-11-20-16-8-4-3-7-14(13)16/h3-9,11,15,18H,10H2,1-2H3
InChIKeyQBTHCHIFOCGSKF-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755028
1-(1-benzothiophen-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447856
2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923329
2-(1-benzothiophen-3-yl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 115823769
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105291760
1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448229
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine (CID 63737255) is 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine is CNC(Cc1csc2ccccc12)c1ncccc1C.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is QBTHCHIFOCGSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-6-5-9-19-17(12)15(18-2)10-13-11-20-16-8-4-3-7-14(13)16/h3-9,11,15,18H,10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine?
2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 63737255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).