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

C19H15F3N2O2 — CID 18691848

IUPAC4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)18-16(25-14-8-4-12(23)5-9-14)2-1-3-17(18)26-15-10-6-13(24)7-11-15/h1-11H,23-24H2
InChIKeyZWOXSVQPYIYGIP-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.45
Rot. Bonds4

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

4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline (PubChem CID 18691848) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline
PubChem CID18691848
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)18-16(25-14-8-4-12(23)5-9-14)2-1-3-17(18)26-15-10-6-13(24)7-11-15/h1-11H,23-24H2
InChIKeyZWOXSVQPYIYGIP-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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Related Compounds

4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline
CID 141170037
4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
CID 141214402
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
3-[4-[2-[4-[3-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2-(trifluoromethyl)aniline
CID 21463822
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
4-[2-[1-[2-(4-aminophenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]aniline
CID 22672932
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
4-phenoxy-2,3-bis(trifluoromethyl)aniline
CID 57146351
4-(4-aminophenoxy)aniline
CID 161415647
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline (CID 18691848) is 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline is Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2C(F)(F)F)cc1.
What is the InChIKey of 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline?
The InChIKey is ZWOXSVQPYIYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)18-16(25-14-8-4-12(23)5-9-14)2-1-3-17(18)26-15-10-6-13(24)7-11-15/h1-11H,23-24H2.
What are the key properties of 4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline?
4-[3-(4-aminophenoxy)-2-(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-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 18691848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).