4-(N-(4-aminophenoxy)anilino)oxyaniline

C18H17N3O2 — CID 87583777

IUPAC4-(N-(4-aminophenoxy)anilino)oxyaniline
SMILESNc1ccc(ON(Oc2ccc(N)cc2)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c19-14-6-10-17(11-7-14)22-21(16-4-2-1-3-5-16)23-18-12-8-15(20)9-13-18/h1-13H,19-20H2
InChIKeyBPVMFKAPANGUPR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.65
Rot. Bonds5

About 4-(N-(4-aminophenoxy)anilino)oxyaniline

4-(N-(4-aminophenoxy)anilino)oxyaniline (PubChem CID 87583777) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(N-(4-aminophenoxy)anilino)oxyaniline.

Molecular Properties

Compound Name4-(N-(4-aminophenoxy)anilino)oxyaniline
PubChem CID87583777
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(N-(4-aminophenoxy)anilino)oxyaniline
SMILESNc1ccc(ON(Oc2ccc(N)cc2)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c19-14-6-10-17(11-7-14)22-21(16-4-2-1-3-5-16)23-18-12-8-15(20)9-13-18/h1-13H,19-20H2
InChIKeyBPVMFKAPANGUPR-UHFFFAOYSA-N
XLogP3.65
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-(4-aminophenoxy)anilino)oxyaniline?
The IUPAC name of 4-(N-(4-aminophenoxy)anilino)oxyaniline (CID 87583777) is 4-(N-(4-aminophenoxy)anilino)oxyaniline.
What is the SMILES notation for 4-(N-(4-aminophenoxy)anilino)oxyaniline?
The canonical SMILES for 4-(N-(4-aminophenoxy)anilino)oxyaniline is Nc1ccc(ON(Oc2ccc(N)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(N-(4-aminophenoxy)anilino)oxyaniline?
The InChIKey is BPVMFKAPANGUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-14-6-10-17(11-7-14)22-21(16-4-2-1-3-5-16)23-18-12-8-15(20)9-13-18/h1-13H,19-20H2.
What are the key properties of 4-(N-(4-aminophenoxy)anilino)oxyaniline?
4-(N-(4-aminophenoxy)anilino)oxyaniline has a molecular weight of 307.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(4-aminophenoxy)anilino)oxyaniline is sourced from PubChem (CID 87583777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).