4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline

C23H20F6N2O2 — CID 141306794

IUPAC4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline
SMILESCc1cc(Oc2ccc(N)cc2C(F)(F)F)c(C)c(C)c1Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C23H20F6N2O2/c1-11-8-20(32-18-6-4-14(30)9-16(18)22(24,25)26)12(2)13(3)21(11)33-19-7-5-15(31)10-17(19)23(27,28)29/h4-10H,30-31H2,1-3H3
InChIKeyZQSNLJZTKCERIT-UHFFFAOYSA-N
MW470.41 g/mol
LogP7.40
Rot. Bonds4

About 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline

4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline (PubChem CID 141306794) has the molecular formula C23H20F6N2O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline
PubChem CID141306794
Molecular FormulaC23H20F6N2O2
Molecular Weight470.41 g/mol
Exact Mass470.14
IUPAC Name4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline
SMILESCc1cc(Oc2ccc(N)cc2C(F)(F)F)c(C)c(C)c1Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C23H20F6N2O2/c1-11-8-20(32-18-6-4-14(30)9-16(18)22(24,25)26)12(2)13(3)21(11)33-19-7-5-15(31)10-17(19)23(27,28)29/h4-10H,30-31H2,1-3H3
InChIKeyZQSNLJZTKCERIT-UHFFFAOYSA-N
XLogP7.40
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-3-(trifluoromethyl)aniline
CID 54530043
2-[4-amino-2-(trifluoromethyl)phenoxy]-3-methylbenzonitrile
CID 107111202
4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 102252770
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
4-[10-[4-amino-2-(trifluoromethyl)phenoxy]anthracen-9-yl]-3-(trifluoromethyl)aniline
CID 176916153
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 79717904
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline (CID 141306794) is 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline is Cc1cc(Oc2ccc(N)cc2C(F)(F)F)c(C)c(C)c1Oc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline?
The InChIKey is ZQSNLJZTKCERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N2O2/c1-11-8-20(32-18-6-4-14(30)9-16(18)22(24,25)26)12(2)13(3)21(11)33-19-7-5-15(31)10-17(19)23(27,28)29/h4-10H,30-31H2,1-3H3.
What are the key properties of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline?
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline has a molecular weight of 470.41 g/mol, XLogP of 7.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 141306794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).