2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine

C17H17N3O2 — CID 39134449

IUPAC2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1ccc2nc(-c3ccc4c(c3)OCO4)c(CCN)n2c1
InChIInChI=1S/C17H17N3O2/c1-11-2-5-16-19-17(13(6-7-18)20(16)9-11)12-3-4-14-15(8-12)22-10-21-14/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyVMYFCLMYFDKOCK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.54
Rot. Bonds3

About 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine

2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 39134449) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID39134449
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1ccc2nc(-c3ccc4c(c3)OCO4)c(CCN)n2c1
InChIInChI=1S/C17H17N3O2/c1-11-2-5-16-19-17(13(6-7-18)20(16)9-11)12-3-4-14-15(8-12)22-10-21-14/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyVMYFCLMYFDKOCK-UHFFFAOYSA-N
XLogP2.54
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 82355851
2-[4-(3-ethyl-6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamine
CID 82025667
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688055
2-[2-(1,3-benzodioxol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127953
2-[6-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530532
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
3-butyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 143046958
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866476

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine (CID 39134449) is 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine is Cc1ccc2nc(-c3ccc4c(c3)OCO4)c(CCN)n2c1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is VMYFCLMYFDKOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-2-5-16-19-17(13(6-7-18)20(16)9-11)12-3-4-14-15(8-12)22-10-21-14/h2-5,8-9H,6-7,10,18H2,1H3.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 295.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 39134449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).