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

C15H16N2S — CID 79223198

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCC2CSc3ccccc32)nc1
InChIInChI=1S/C15H16N2S/c1-2-7-15-14(6-1)12(11-18-15)9-16-10-13-5-3-4-8-17-13/h1-8,12,16H,9-11H2
InChIKeyWPBRMLGDLXNBML-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.06
Rot. Bonds4

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

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 79223198) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID79223198
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCC2CSc3ccccc32)nc1
InChIInChI=1S/C15H16N2S/c1-2-7-15-14(6-1)12(11-18-15)9-16-10-13-5-3-4-8-17-13/h1-8,12,16H,9-11H2
InChIKeyWPBRMLGDLXNBML-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 79221155
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 79220937
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 79221623
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 79220853
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 79227088

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 79223198) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCC2CSc3ccccc32)nc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is WPBRMLGDLXNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-7-15-14(6-1)12(11-18-15)9-16-10-13-5-3-4-8-17-13/h1-8,12,16H,9-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 256.37 g/mol, XLogP of 3.06, 4 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)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 79223198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).