1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

C16H20N2O2 — CID 60634071

IUPAC1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-13-6-2-3-8-16(13)20-12-15(19)11-17-10-14-7-4-5-9-18-14/h2-9,15,17,19H,10-12H2,1H3
InChIKeyLHBUJBYPIVFNOA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.92
Rot. Bonds7

About 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 60634071) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID60634071
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-13-6-2-3-8-16(13)20-12-15(19)11-17-10-14-7-4-5-9-18-14/h2-9,15,17,19H,10-12H2,1H3
InChIKeyLHBUJBYPIVFNOA-UHFFFAOYSA-N
XLogP1.92
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 6363302
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 60634071) is 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is Cc1ccccc1OCC(O)CNCc1ccccn1.
What is the InChIKey of 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is LHBUJBYPIVFNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-6-2-3-8-16(13)20-12-15(19)11-17-10-14-7-4-5-9-18-14/h2-9,15,17,19H,10-12H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60634071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).