3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride

C19H19ClN2S — CID 69156542

IUPAC3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride
SMILESCc1cccc(C=Cc2cccc(NCc3cccs3)c2)n1.Cl
InChIInChI=1S/C19H18N2S.ClH/c1-15-5-2-7-17(21-15)11-10-16-6-3-8-18(13-16)20-14-19-9-4-12-22-19;/h2-13,20H,14H2,1H3;1H
InChIKeyNMLKDPNBPGIFRD-UHFFFAOYSA-N
MW342.90 g/mol
LogP5.66
Rot. Bonds5

About 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride

3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride (PubChem CID 69156542) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride
PubChem CID69156542
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC Name3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride
SMILESCc1cccc(C=Cc2cccc(NCc3cccs3)c2)n1.Cl
InChIInChI=1S/C19H18N2S.ClH/c1-15-5-2-7-17(21-15)11-10-16-6-3-8-18(13-16)20-14-19-9-4-12-22-19;/h2-13,20H,14H2,1H3;1H
InChIKeyNMLKDPNBPGIFRD-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.90
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride?
The IUPAC name of 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride (CID 69156542) is 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride?
The canonical SMILES for 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride is Cc1cccc(C=Cc2cccc(NCc3cccs3)c2)n1.Cl.
What is the InChIKey of 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride?
The InChIKey is NMLKDPNBPGIFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S.ClH/c1-15-5-2-7-17(21-15)11-10-16-6-3-8-18(13-16)20-14-19-9-4-12-22-19;/h2-13,20H,14H2,1H3;1H.
What are the key properties of 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride?
3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride has a molecular weight of 342.90 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride is sourced from PubChem (CID 69156542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).