1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol

C21H27N3O2 — CID 167860035

IUPAC1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCCc2cn3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-15-6-7-20(17(3)11-15)26-14-19(25)12-22-9-8-18-13-24-10-4-5-16(2)21(24)23-18/h4-7,10-11,13,19,22,25H,8-9,12,14H2,1-3H3
InChIKeyGBIGCWSKQOHRJD-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.83
Rot. Bonds8

About 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol (PubChem CID 167860035) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol
PubChem CID167860035
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCCc2cn3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-15-6-7-20(17(3)11-15)26-14-19(25)12-22-9-8-18-13-24-10-4-5-16(2)21(24)23-18/h4-7,10-11,13,19,22,25H,8-9,12,14H2,1-3H3
InChIKeyGBIGCWSKQOHRJD-UHFFFAOYSA-N
XLogP2.83
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(2,4-dimethylphenoxy)-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473977
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
1-(2,4-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211708
1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 103006161
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004
3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176538
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol (CID 167860035) is 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol is Cc1ccc(OCC(O)CNCCc2cn3cccc(C)c3n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol?
The InChIKey is GBIGCWSKQOHRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-6-7-20(17(3)11-15)26-14-19(25)12-22-9-8-18-13-24-10-4-5-16(2)21(24)23-18/h4-7,10-11,13,19,22,25H,8-9,12,14H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol has a molecular weight of 353.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 167860035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).