2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine

C17H18N2S — CID 106755028

IUPAC2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
SMILESCNC(Cc1csc2ccccc12)c1ccnc(C)c1
InChIInChI=1S/C17H18N2S/c1-12-9-13(7-8-19-12)16(18-2)10-14-11-20-17-6-4-3-5-15(14)17/h3-9,11,16,18H,10H2,1-2H3
InChIKeyCOWDKPVGWXLLMQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.11
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine

2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine (PubChem CID 106755028) 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-(2-methyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
PubChem CID106755028
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
SMILESCNC(Cc1csc2ccccc12)c1ccnc(C)c1
InChIInChI=1S/C17H18N2S/c1-12-9-13(7-8-19-12)16(18-2)10-14-11-20-17-6-4-3-5-15(14)17/h3-9,11,16,18H,10H2,1-2H3
InChIKeyCOWDKPVGWXLLMQ-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-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923329
2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 63737255
2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 115823769
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
CID 106755506
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
N-methyl-1-(2-methyl-4-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106755047
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755143

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine (CID 106755028) is 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine is CNC(Cc1csc2ccccc12)c1ccnc(C)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
The InChIKey is COWDKPVGWXLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-9-13(7-8-19-12)16(18-2)10-14-11-20-17-6-4-3-5-15(14)17/h3-9,11,16,18H,10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-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-(2-methyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 106755028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).