[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine

C16H17N3O — CID 43478684

IUPAC[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1ccc(Oc2nc3ccccn3c2CN)cc1C
InChIInChI=1S/C16H17N3O/c1-11-6-7-13(9-12(11)2)20-16-14(10-17)19-8-4-3-5-15(19)18-16/h3-9H,10,17H2,1-2H3
InChIKeyDEZIUHVXYJXCGT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds3

About [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine

[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 43478684) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID43478684
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1ccc(Oc2nc3ccccn3c2CN)cc1C
InChIInChI=1S/C16H17N3O/c1-11-6-7-13(9-12(11)2)20-16-14(10-17)19-8-4-3-5-15(19)18-16/h3-9H,10,17H2,1-2H3
InChIKeyDEZIUHVXYJXCGT-UHFFFAOYSA-N
XLogP3.20
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478666
[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478692
[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087710
[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 81332235
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-3-yl]methanamine
CID 103175247
3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087014
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
N-methyl-1-[2-(3-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478688
[2-(2,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478501
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 43478684) is [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine is Cc1ccc(Oc2nc3ccccn3c2CN)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is DEZIUHVXYJXCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-6-7-13(9-12(11)2)20-16-14(10-17)19-8-4-3-5-15(19)18-16/h3-9H,10,17H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 43478684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).