4-[4-(4-aminophenoxy)phenoxy]aniline

C18H16N2O2 — CID 19012

IUPAC4-[4-(4-aminophenoxy)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2
InChIKeyJCRRFJIVUPSNTA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.44
Rot. Bonds4

About 4-[4-(4-aminophenoxy)phenoxy]aniline

4-[4-(4-aminophenoxy)phenoxy]aniline (PubChem CID 19012) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)phenoxy]aniline
PubChem CID19012
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[4-(4-aminophenoxy)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2
InChIKeyJCRRFJIVUPSNTA-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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)phenoxy]aniline?
The IUPAC name of 4-[4-(4-aminophenoxy)phenoxy]aniline (CID 19012) is 4-[4-(4-aminophenoxy)phenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminophenoxy)phenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminophenoxy)phenoxy]aniline is Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)phenoxy]aniline?
The InChIKey is JCRRFJIVUPSNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2.
What are the key properties of 4-[4-(4-aminophenoxy)phenoxy]aniline?
4-[4-(4-aminophenoxy)phenoxy]aniline has a molecular weight of 292.34 g/mol, XLogP of 4.44, 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)phenoxy]aniline is sourced from PubChem (CID 19012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).