1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol

C13H18F3NO2 — CID 60898998

IUPAC1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCC(C)OCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-9(2)19-8-10(18)7-17-12-6-4-3-5-11(12)13(14,15)16/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyLPMBPTDDTFIIFK-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.90
Rot. Bonds6

About 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol

1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 60898998) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID60898998
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCC(C)OCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-9(2)19-8-10(18)7-17-12-6-4-3-5-11(12)13(14,15)16/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyLPMBPTDDTFIIFK-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78827764
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol (CID 60898998) is 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol is CC(C)OCC(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is LPMBPTDDTFIIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(2)19-8-10(18)7-17-12-6-4-3-5-11(12)13(14,15)16/h3-6,9-10,17-18H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol?
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 60898998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).