2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline

C15H14F3NO2 — CID 2392341

IUPAC2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C15H14F3NO2/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)19)15(16,17)18/h3-9H,2,19H2,1H3
InChIKeyDICIENBIINLPFI-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline

2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 2392341) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
PubChem CID2392341
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C15H14F3NO2/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)19)15(16,17)18/h3-9H,2,19H2,1H3
InChIKeyDICIENBIINLPFI-UHFFFAOYSA-N
XLogP4.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline (CID 2392341) is 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline is CCOc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is DICIENBIINLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)19)15(16,17)18/h3-9H,2,19H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 297.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 2392341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).