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

C24H22F6N2O2 — CID 102252770

IUPAC4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
SMILESCC(C)(C)c1ccc(Oc2ccc(N)cc2C(F)(F)F)c(Oc2ccc(N)cc2C(F)(F)F)c1
InChIInChI=1S/C24H22F6N2O2/c1-22(2,3)13-4-7-20(33-18-8-5-14(31)11-16(18)23(25,26)27)21(10-13)34-19-9-6-15(32)12-17(19)24(28,29)30/h4-12H,31-32H2,1-3H3
InChIKeyWVZWJTFOSMSTAO-UHFFFAOYSA-N
MW484.44 g/mol
LogP7.77
Rot. Bonds4

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

4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline (PubChem CID 102252770) has the molecular formula C24H22F6N2O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
PubChem CID102252770
Molecular FormulaC24H22F6N2O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC Name4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
SMILESCC(C)(C)c1ccc(Oc2ccc(N)cc2C(F)(F)F)c(Oc2ccc(N)cc2C(F)(F)F)c1
InChIInChI=1S/C24H22F6N2O2/c1-22(2,3)13-4-7-20(33-18-8-5-14(31)11-16(18)23(25,26)27)21(10-13)34-19-9-6-15(32)12-17(19)24(28,29)30/h4-12H,31-32H2,1-3H3
InChIKeyWVZWJTFOSMSTAO-UHFFFAOYSA-N
XLogP7.77
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 57.77
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-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-(2,5-ditert-butylphenoxy)benzene-1,3-diamine
CID 174829931
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline
CID 141306794
4-[4-[1-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-tert-butylphenyl]cyclopentyl]-2-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 139899829
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-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-3-(trifluoromethyl)aniline
CID 54530043
4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
CID 167742653
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
4-(5-iodopyrimidin-4-yl)oxy-3-(trifluoromethyl)aniline
CID 66342844

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline (CID 102252770) is 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline is CC(C)(C)c1ccc(Oc2ccc(N)cc2C(F)(F)F)c(Oc2ccc(N)cc2C(F)(F)F)c1.
What is the InChIKey of 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline?
The InChIKey is WVZWJTFOSMSTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N2O2/c1-22(2,3)13-4-7-20(33-18-8-5-14(31)11-16(18)23(25,26)27)21(10-13)34-19-9-6-15(32)12-17(19)24(28,29)30/h4-12H,31-32H2,1-3H3.
What are the key properties of 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline?
4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline has a molecular weight of 484.44 g/mol, XLogP of 7.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 102252770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).