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

C13H18F3NO3 — CID 106989058

IUPAC1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCOCCOCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-19-6-7-20-9-10(18)8-17-12-5-3-2-4-11(12)13(14,15)16/h2-5,10,17-18H,6-9H2,1H3
InChIKeyXEKBQMICPUMVBI-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.14
Rot. Bonds8

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

1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 106989058) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID106989058
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESCOCCOCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-19-6-7-20-9-10(18)8-17-12-5-3-2-4-11(12)13(14,15)16/h2-5,10,17-18H,6-9H2,1H3
InChIKeyXEKBQMICPUMVBI-UHFFFAOYSA-N
XLogP2.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 97237905
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106990645
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol (CID 106989058) is 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol is COCCOCC(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is XEKBQMICPUMVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-19-6-7-20-9-10(18)8-17-12-5-3-2-4-11(12)13(14,15)16/h2-5,10,17-18H,6-9H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol?
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 106989058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).