1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

C16H17F3N2O2 — CID 133309828

IUPAC1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCc1cccc(OCC(O)CNc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N2O2/c1-11-4-2-5-13(8-11)23-10-12(22)9-20-15-7-3-6-14(21-15)16(17,18)19/h2-8,12,22H,9-10H2,1H3,(H,20,21)
InChIKeyMLSPDKHPKRYAGR-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.26
Rot. Bonds6

About 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 133309828) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID133309828
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCc1cccc(OCC(O)CNc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N2O2/c1-11-4-2-5-13(8-11)23-10-12(22)9-20-15-7-3-6-14(21-15)16(17,18)19/h2-8,12,22H,9-10H2,1H3,(H,20,21)
InChIKeyMLSPDKHPKRYAGR-UHFFFAOYSA-N
XLogP3.26
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
CID 133300798
1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 113228906
1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
CID 167779132
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (CID 133309828) is 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is Cc1cccc(OCC(O)CNc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is MLSPDKHPKRYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-11-4-2-5-13(8-11)23-10-12(22)9-20-15-7-3-6-14(21-15)16(17,18)19/h2-8,12,22H,9-10H2,1H3,(H,20,21).
What are the key properties of 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 326.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 133309828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).