1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

C16H20N2O3 — CID 60633719

IUPAC1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-15-5-7-16(8-6-15)21-12-14(19)11-17-10-13-4-2-3-9-18-13/h2-9,14,17,19H,10-12H2,1H3
InChIKeyVSKNGXOZGVOMAF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds8

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

1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 60633719) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID60633719
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-15-5-7-16(8-6-15)21-12-14(19)11-17-10-13-4-2-3-9-18-13/h2-9,14,17,19H,10-12H2,1H3
InChIKeyVSKNGXOZGVOMAF-UHFFFAOYSA-N
XLogP1.62
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895894
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
1-[4,4-bis(4-methoxyphenyl)butylamino]-3-phenoxypropan-2-ol
CID 11604503

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 60633719) is 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is COc1ccc(OCC(O)CNCc2ccccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is VSKNGXOZGVOMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-15-5-7-16(8-6-15)21-12-14(19)11-17-10-13-4-2-3-9-18-13/h2-9,14,17,19H,10-12H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 288.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).