4-(4-aminophenoxy)-3-(trifluoromethyl)aniline

C13H11F3N2O — CID 11369179

IUPAC4-(4-aminophenoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)11-7-9(18)3-6-12(11)19-10-4-1-8(17)2-5-10/h1-7H,17-18H2
InChIKeySYLFKCCCMAKZKF-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.66
Rot. Bonds2

About 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline

4-(4-aminophenoxy)-3-(trifluoromethyl)aniline (PubChem CID 11369179) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-(trifluoromethyl)aniline
PubChem CID11369179
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name4-(4-aminophenoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)11-7-9(18)3-6-12(11)19-10-4-1-8(17)2-5-10/h1-7H,17-18H2
InChIKeySYLFKCCCMAKZKF-UHFFFAOYSA-N
XLogP3.66
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline (CID 11369179) is 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline?
The InChIKey is SYLFKCCCMAKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)11-7-9(18)3-6-12(11)19-10-4-1-8(17)2-5-10/h1-7H,17-18H2.
What are the key properties of 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline?
4-(4-aminophenoxy)-3-(trifluoromethyl)aniline has a molecular weight of 268.24 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 11369179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).