2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine

C18H19N3O2 — CID 28866476

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1cccn2c(CCN)c(-c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C18H19N3O2/c1-12-3-2-8-21-14(6-7-19)17(20-18(12)21)13-4-5-15-16(11-13)23-10-9-22-15/h2-5,8,11H,6-7,9-10,19H2,1H3
InChIKeyXWTUUYTZNBIFMU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.58
Rot. Bonds3

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 28866476) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID28866476
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1cccn2c(CCN)c(-c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C18H19N3O2/c1-12-3-2-8-21-14(6-7-19)17(20-18(12)21)13-4-5-15-16(11-13)23-10-9-22-15/h2-5,8,11H,6-7,9-10,19H2,1H3
InChIKeyXWTUUYTZNBIFMU-UHFFFAOYSA-N
XLogP2.58
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866506
2-[8-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529762
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
CID 39199500
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 42738420
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
2-[8-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82223219
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
4-[[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 20969161
2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82531180
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine (CID 28866476) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine is Cc1cccn2c(CCN)c(-c3ccc4c(c3)OCCO4)nc12.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is XWTUUYTZNBIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-3-2-8-21-14(6-7-19)17(20-18(12)21)13-4-5-15-16(11-13)23-10-9-22-15/h2-5,8,11H,6-7,9-10,19H2,1H3.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 309.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 28866476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).