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

C20H14F6N2O2 — CID 141170037

IUPAC4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(N)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2O2/c21-19(22,23)17-15(29-13-5-1-11(27)2-6-13)9-10-16(18(17)20(24,25)26)30-14-7-3-12(28)4-8-14/h1-10H,27-28H2
InChIKeyOQBKQDZRJOWLFZ-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.47
Rot. Bonds4

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

4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline (PubChem CID 141170037) has the molecular formula C20H14F6N2O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline
PubChem CID141170037
Molecular FormulaC20H14F6N2O2
Molecular Weight428.33 g/mol
Exact Mass428.10
IUPAC Name4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(N)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2O2/c21-19(22,23)17-15(29-13-5-1-11(27)2-6-13)9-10-16(18(17)20(24,25)26)30-14-7-3-12(28)4-8-14/h1-10H,27-28H2
InChIKeyOQBKQDZRJOWLFZ-UHFFFAOYSA-N
XLogP6.47
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.47
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'}

Analyze 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(4-aminophenoxy)-2-(trifluoromethyl)phenoxy]aniline
CID 18691848
4-phenoxy-2,3-bis(trifluoromethyl)aniline
CID 57146351
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
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-(4-aminophenoxy)aniline
CID 161415647
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
CID 141214402
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
CID 141170020
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline (CID 141170037) is 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline is Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline?
The InChIKey is OQBKQDZRJOWLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2/c21-19(22,23)17-15(29-13-5-1-11(27)2-6-13)9-10-16(18(17)20(24,25)26)30-14-7-3-12(28)4-8-14/h1-10H,27-28H2.
What are the key properties of 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline?
4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline has a molecular weight of 428.33 g/mol, XLogP of 6.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 141170037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).