1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

C17H22N2O2 — CID 60633896

IUPAC1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCc1ccc(OCC(O)CNCc2ccccn2)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-7-17(14(2)9-13)21-12-16(20)11-18-10-15-5-3-4-8-19-15/h3-9,16,18,20H,10-12H2,1-2H3
InChIKeyGMIKYCFCCARSBD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.23
Rot. Bonds7

About 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 60633896) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID60633896
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCc1ccc(OCC(O)CNCc2ccccn2)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-7-17(14(2)9-13)21-12-16(20)11-18-10-15-5-3-4-8-19-15/h3-9,16,18,20H,10-12H2,1-2H3
InChIKeyGMIKYCFCCARSBD-UHFFFAOYSA-N
XLogP2.23
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108870672
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-(2,4-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211708

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 60633896) is 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is Cc1ccc(OCC(O)CNCc2ccccn2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is GMIKYCFCCARSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-7-17(14(2)9-13)21-12-16(20)11-18-10-15-5-3-4-8-19-15/h3-9,16,18,20H,10-12H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).