4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline

C22H24N2O2 — CID 15935091

IUPAC4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline
SMILESCC(C)(C)c1cc(Oc2ccc(N)cc2)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)20-14-19(25-17-8-4-15(23)5-9-17)12-13-21(20)26-18-10-6-16(24)7-11-18/h4-14H,23-24H2,1-3H3
InChIKeyURUOZJKXQGKJQQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.73
Rot. Bonds4

About 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline

4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline (PubChem CID 15935091) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline
PubChem CID15935091
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline
SMILESCC(C)(C)c1cc(Oc2ccc(N)cc2)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)20-14-19(25-17-8-4-15(23)5-9-17)12-13-21(20)26-18-10-6-16(24)7-11-18/h4-14H,23-24H2,1-3H3
InChIKeyURUOZJKXQGKJQQ-UHFFFAOYSA-N
XLogP5.73
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.73
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)-3-tert-butylphenoxy]aniline?
The IUPAC name of 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline (CID 15935091) is 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline is CC(C)(C)c1cc(Oc2ccc(N)cc2)ccc1Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline?
The InChIKey is URUOZJKXQGKJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2,3)20-14-19(25-17-8-4-15(23)5-9-17)12-13-21(20)26-18-10-6-16(24)7-11-18/h4-14H,23-24H2,1-3H3.
What are the key properties of 4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline?
4-[4-(4-aminophenoxy)-3-tert-butylphenoxy]aniline has a molecular weight of 348.45 g/mol, XLogP of 5.73, 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)-3-tert-butylphenoxy]aniline is sourced from PubChem (CID 15935091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).