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

C24H20N2O2 — CID 632695

IUPAC4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16H,25-26H2
InChIKeyHYDATEKARGDBKU-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.10
Rot. Bonds5

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

4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline (PubChem CID 632695) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
PubChem CID632695
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16H,25-26H2
InChIKeyHYDATEKARGDBKU-UHFFFAOYSA-N
XLogP6.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.10
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-(4-aminophenoxy)phenyl]phenoxy]aniline?
The IUPAC name of 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline (CID 632695) is 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline.
What is the SMILES notation for 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline?
The canonical SMILES for 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline is Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline?
The InChIKey is HYDATEKARGDBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16H,25-26H2.
What are the key properties of 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline?
4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline has a molecular weight of 368.44 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline is sourced from PubChem (CID 632695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).