4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline

C26H18F6N2O2 — CID 19805072

IUPAC4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2
InChIKeyIWFSADBGACLBMH-UHFFFAOYSA-N
MW504.43 g/mol
LogP8.14
Rot. Bonds5

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

4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline (PubChem CID 19805072) has the molecular formula C26H18F6N2O2 and a molecular weight of 504.43 g/mol. Its IUPAC name is 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
PubChem CID19805072
Molecular FormulaC26H18F6N2O2
Molecular Weight504.43 g/mol
Exact Mass504.13
IUPAC Name4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2
InChIKeyIWFSADBGACLBMH-UHFFFAOYSA-N
XLogP8.14
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.43
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline (CID 19805072) is 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline?
The InChIKey is IWFSADBGACLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2.
What are the key properties of 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline?
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline has a molecular weight of 504.43 g/mol, XLogP of 8.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 19805072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).