1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C18H22N2S — CID 105168842

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CSc3ccccc32)nc1
InChIInChI=1S/C18H22N2S/c1-3-13-8-9-14(20-11-13)10-17(19-2)16-12-21-18-7-5-4-6-15(16)18/h4-9,11,16-17,19H,3,10,12H2,1-2H3
InChIKeyCCRQJNJOSJMNLP-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 105168842) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID105168842
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CSc3ccccc32)nc1
InChIInChI=1S/C18H22N2S/c1-3-13-8-9-14(20-11-13)10-17(19-2)16-12-21-18-7-5-4-6-15(16)18/h4-9,11,16-17,19H,3,10,12H2,1-2H3
InChIKeyCCRQJNJOSJMNLP-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105136455
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-3-methylidenepentan-1-amine
CID 105163853
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105014570
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79974905
1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156258
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105324428
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105162705
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylhex-5-en-1-amine
CID 105152995
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748739
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064143

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 105168842) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)C2CSc3ccccc32)nc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is CCRQJNJOSJMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-3-13-8-9-14(20-11-13)10-17(19-2)16-12-21-18-7-5-4-6-15(16)18/h4-9,11,16-17,19H,3,10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 298.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105168842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).