4-[3-(4-aminophenyl)peroxyphenyl]aniline

C18H16N2O2 — CID 89414518

IUPAC4-[3-(4-aminophenyl)peroxyphenyl]aniline
SMILESNc1ccc(OOc2cccc(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C18H16N2O2/c19-15-6-4-13(5-7-15)14-2-1-3-18(12-14)22-21-17-10-8-16(20)9-11-17/h1-12H,19-20H2
InChIKeyNTBYRQVFPHUGKX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.89
Rot. Bonds4

About 4-[3-(4-aminophenyl)peroxyphenyl]aniline

4-[3-(4-aminophenyl)peroxyphenyl]aniline (PubChem CID 89414518) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)peroxyphenyl]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)peroxyphenyl]aniline
PubChem CID89414518
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[3-(4-aminophenyl)peroxyphenyl]aniline
SMILESNc1ccc(OOc2cccc(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C18H16N2O2/c19-15-6-4-13(5-7-15)14-2-1-3-18(12-14)22-21-17-10-8-16(20)9-11-17/h1-12H,19-20H2
InChIKeyNTBYRQVFPHUGKX-UHFFFAOYSA-N
XLogP3.89
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.89
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)peroxyphenyl]aniline?
The IUPAC name of 4-[3-(4-aminophenyl)peroxyphenyl]aniline (CID 89414518) is 4-[3-(4-aminophenyl)peroxyphenyl]aniline.
What is the SMILES notation for 4-[3-(4-aminophenyl)peroxyphenyl]aniline?
The canonical SMILES for 4-[3-(4-aminophenyl)peroxyphenyl]aniline is Nc1ccc(OOc2cccc(-c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)peroxyphenyl]aniline?
The InChIKey is NTBYRQVFPHUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-15-6-4-13(5-7-15)14-2-1-3-18(12-14)22-21-17-10-8-16(20)9-11-17/h1-12H,19-20H2.
What are the key properties of 4-[3-(4-aminophenyl)peroxyphenyl]aniline?
4-[3-(4-aminophenyl)peroxyphenyl]aniline has a molecular weight of 292.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)peroxyphenyl]aniline is sourced from PubChem (CID 89414518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).