3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline

C19H15F3N2O2 — CID 18354084

IUPAC3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline
SMILESNc1cccc(Oc2cc(Oc3cccc(N)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)12-7-17(25-15-5-1-3-13(23)9-15)11-18(8-12)26-16-6-2-4-14(24)10-16/h1-11H,23-24H2
InChIKeyGSZMJXJTVSKTAY-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.45
Rot. Bonds4

About 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline

3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline (PubChem CID 18354084) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline
PubChem CID18354084
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline
SMILESNc1cccc(Oc2cc(Oc3cccc(N)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)12-7-17(25-15-5-1-3-13(23)9-15)11-18(8-12)26-16-6-2-4-14(24)10-16/h1-11H,23-24H2
InChIKeyGSZMJXJTVSKTAY-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline (CID 18354084) is 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline is Nc1cccc(Oc2cc(Oc3cccc(N)c3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline?
The InChIKey is GSZMJXJTVSKTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)12-7-17(25-15-5-1-3-13(23)9-15)11-18(8-12)26-16-6-2-4-14(24)10-16/h1-11H,23-24H2.
What are the key properties of 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline?
3-[3-(3-aminophenoxy)-5-(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 3-[3-(3-aminophenoxy)-5-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 18354084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).