4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline

C19H15F3N2O2 — CID 141214402

IUPAC4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2cccc(C(F)(F)F)c2Oc2ccc(N)cc2)cc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)16-2-1-3-17(25-14-8-4-12(23)5-9-14)18(16)26-15-10-6-13(24)7-11-15/h1-11H,23-24H2
InChIKeyBUDRKQCJFCAQHE-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.45
Rot. Bonds4

About 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline

4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline (PubChem CID 141214402) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
PubChem CID141214402
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2cccc(C(F)(F)F)c2Oc2ccc(N)cc2)cc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)16-2-1-3-17(25-14-8-4-12(23)5-9-14)18(16)26-15-10-6-13(24)7-11-15/h1-11H,23-24H2
InChIKeyBUDRKQCJFCAQHE-UHFFFAOYSA-N
XLogP5.45
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline (CID 141214402) is 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline is Nc1ccc(Oc2cccc(C(F)(F)F)c2Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline?
The InChIKey is BUDRKQCJFCAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)16-2-1-3-17(25-14-8-4-12(23)5-9-14)18(16)26-15-10-6-13(24)7-11-15/h1-11H,23-24H2.
What are the key properties of 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline?
4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline has a molecular weight of 360.34 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 141214402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).