1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C15H15F3N2O2 — CID 133274208

IUPAC1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(CNc1ccccn1)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)11-4-3-5-13(8-11)22-10-12(21)9-20-14-6-1-2-7-19-14/h1-8,12,21H,9-10H2,(H,19,20)
InChIKeyHCFQGUFKNGXFGM-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.95
Rot. Bonds6

About 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 133274208) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID133274208
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(CNc1ccccn1)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)11-4-3-5-13(8-11)22-10-12(21)9-20-14-6-1-2-7-19-14/h1-8,12,21H,9-10H2,(H,19,20)
InChIKeyHCFQGUFKNGXFGM-UHFFFAOYSA-N
XLogP2.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
CID 122053273
1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 47982802
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
CID 13288277
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 133274208) is 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is OC(CNc1ccccn1)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is HCFQGUFKNGXFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-15(17,18)11-4-3-5-13(8-11)22-10-12(21)9-20-14-6-1-2-7-19-14/h1-8,12,21H,9-10H2,(H,19,20).
What are the key properties of 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 312.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 133274208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).