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

C14H20F3NO2 — CID 60898806

IUPAC1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCC(C)COCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-10(2)8-20-9-11(19)7-18-13-6-4-3-5-12(13)14(15,16)17/h3-6,10-11,18-19H,7-9H2,1-2H3
InChIKeyHAFCWENEOARKPX-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.15
Rot. Bonds7

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

1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 60898806) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID60898806
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCC(C)COCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-10(2)8-20-9-11(19)7-18-13-6-4-3-5-12(13)14(15,16)17/h3-6,10-11,18-19H,7-9H2,1-2H3
InChIKeyHAFCWENEOARKPX-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
1-[2-(difluoromethylsulfanyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60898445
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60899678
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
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
CID 87007219

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol (CID 60898806) is 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol is CC(C)COCC(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is HAFCWENEOARKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10(2)8-20-9-11(19)7-18-13-6-4-3-5-12(13)14(15,16)17/h3-6,10-11,18-19H,7-9H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 60898806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).