2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

C19H24N4O — CID 82152131

IUPAC2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESCc1cnc2c(c1)nc(C(C)C)n2CCOc1ccc(N)c(C)c1
InChIInChI=1S/C19H24N4O/c1-12(2)18-22-17-9-13(3)11-21-19(17)23(18)7-8-24-15-5-6-16(20)14(4)10-15/h5-6,9-12H,7-8,20H2,1-4H3
InChIKeyKNNDDXGAFXIMAA-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.83
Rot. Bonds5

About 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (PubChem CID 82152131) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
PubChem CID82152131
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESCc1cnc2c(c1)nc(C(C)C)n2CCOc1ccc(N)c(C)c1
InChIInChI=1S/C19H24N4O/c1-12(2)18-22-17-9-13(3)11-21-19(17)23(18)7-8-24-15-5-6-16(20)14(4)10-15/h5-6,9-12H,7-8,20H2,1-4H3
InChIKeyKNNDDXGAFXIMAA-UHFFFAOYSA-N
XLogP3.83
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 94758729
2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 82152127
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79277756
2-methyl-4-[2-[5-(4-methylphenyl)triazol-1-yl]ethoxy]aniline
CID 94963010
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79279800
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The IUPAC name of 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (CID 82152131) is 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.
What is the SMILES notation for 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The canonical SMILES for 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is Cc1cnc2c(c1)nc(C(C)C)n2CCOc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The InChIKey is KNNDDXGAFXIMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12(2)18-22-17-9-13(3)11-21-19(17)23(18)7-8-24-15-5-6-16(20)14(4)10-15/h5-6,9-12H,7-8,20H2,1-4H3.
What are the key properties of 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline has a molecular weight of 324.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is sourced from PubChem (CID 82152131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).