1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine

C16H16N2S — CID 66447688

IUPAC1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc3ccccc3s2)nc1
InChIInChI=1S/C16H16N2S/c1-11-6-7-13(18-10-11)9-14(17)16-8-12-4-2-3-5-15(12)19-16/h2-8,10,14H,9,17H2,1H3
InChIKeyAILHVJXSIYTKFO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.85
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66447688) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66447688
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cc3ccccc3s2)nc1
InChIInChI=1S/C16H16N2S/c1-11-6-7-13(18-10-11)9-14(17)16-8-12-4-2-3-5-15(12)19-16/h2-8,10,14H,9,17H2,1H3
InChIKeyAILHVJXSIYTKFO-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine 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-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446523
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 105036767
1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002034
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81115596

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 66447688) is 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2cc3ccccc3s2)nc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is AILHVJXSIYTKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-6-7-13(18-10-11)9-14(17)16-8-12-4-2-3-5-15(12)19-16/h2-8,10,14H,9,17H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66447688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).