2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine

C18H21N3O — CID 82055762

IUPAC2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine
SMILESCCCOc1cccn2c(CCN)c(-c3ccccc3)nc12
InChIInChI=1S/C18H21N3O/c1-2-13-22-16-9-6-12-21-15(10-11-19)17(20-18(16)21)14-7-4-3-5-8-14/h3-9,12H,2,10-11,13,19H2,1H3
InChIKeyCKTUPHZQRTURQB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine

2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine (PubChem CID 82055762) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine
PubChem CID82055762
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine
SMILESCCCOc1cccn2c(CCN)c(-c3ccccc3)nc12
InChIInChI=1S/C18H21N3O/c1-2-13-22-16-9-6-12-21-15(10-11-19)17(20-18(16)21)14-7-4-3-5-8-14/h3-9,12H,2,10-11,13,19H2,1H3
InChIKeyCKTUPHZQRTURQB-UHFFFAOYSA-N
XLogP3.29
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine (CID 82055762) is 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine is CCCOc1cccn2c(CCN)c(-c3ccccc3)nc12.
What is the InChIKey of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine?
The InChIKey is CKTUPHZQRTURQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-13-22-16-9-6-12-21-15(10-11-19)17(20-18(16)21)14-7-4-3-5-8-14/h3-9,12H,2,10-11,13,19H2,1H3.
What are the key properties of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine?
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 82055762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).