4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline

C21H22N2O2 — CID 15373716

IUPAC4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2)c(C)c(C)c1Oc1ccc(N)cc1
InChIInChI=1S/C21H22N2O2/c1-13-12-20(24-18-8-4-16(22)5-9-18)14(2)15(3)21(13)25-19-10-6-17(23)7-11-19/h4-12H,22-23H2,1-3H3
InChIKeyARIRCVKBIXMMHJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.36
Rot. Bonds4

About 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline

4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline (PubChem CID 15373716) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
PubChem CID15373716
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2)c(C)c(C)c1Oc1ccc(N)cc1
InChIInChI=1S/C21H22N2O2/c1-13-12-20(24-18-8-4-16(22)5-9-18)14(2)15(3)21(13)25-19-10-6-17(23)7-11-19/h4-12H,22-23H2,1-3H3
InChIKeyARIRCVKBIXMMHJ-UHFFFAOYSA-N
XLogP5.36
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline?
The IUPAC name of 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline (CID 15373716) is 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline is Cc1cc(Oc2ccc(N)cc2)c(C)c(C)c1Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline?
The InChIKey is ARIRCVKBIXMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-12-20(24-18-8-4-16(22)5-9-18)14(2)15(3)21(13)25-19-10-6-17(23)7-11-19/h4-12H,22-23H2,1-3H3.
What are the key properties of 4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline?
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline has a molecular weight of 334.42 g/mol, XLogP of 5.36, 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)-2,3,5-trimethylphenoxy]aniline is sourced from PubChem (CID 15373716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).