1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine

C16H18N2S — CID 79318734

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)CC1CSc2ccccc21
InChIInChI=1S/C16H18N2S/c1-18(10-13-5-4-8-17-9-13)11-14-12-19-16-7-3-2-6-15(14)16/h2-9,14H,10-12H2,1H3
InChIKeyUGLROKPSUYNVTR-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.40
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 79318734) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
PubChem CID79318734
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)CC1CSc2ccccc21
InChIInChI=1S/C16H18N2S/c1-18(10-13-5-4-8-17-9-13)11-14-12-19-16-7-3-2-6-15(14)16/h2-9,14H,10-12H2,1H3
InChIKeyUGLROKPSUYNVTR-UHFFFAOYSA-N
XLogP3.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
N-methyl-N-(pyridin-3-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916326
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide
CID 79315662
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 102894289
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
CID 77110305
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 76540758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine (CID 79318734) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine is CN(Cc1cccnc1)CC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is UGLROKPSUYNVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-18(10-13-5-4-8-17-9-13)11-14-12-19-16-7-3-2-6-15(14)16/h2-9,14H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 270.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 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)-N-methyl-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 79318734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).