4-[3,5-bis(4-aminophenoxy)phenoxy]aniline

C24H21N3O3 — CID 21185049

IUPAC4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
SMILESNc1ccc(Oc2cc(Oc3ccc(N)cc3)cc(Oc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2
InChIKeyPAPDRIKTCIYHFI-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.81
Rot. Bonds6

About 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline

4-[3,5-bis(4-aminophenoxy)phenoxy]aniline (PubChem CID 21185049) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline.

Molecular Properties

Compound Name4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
PubChem CID21185049
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
SMILESNc1ccc(Oc2cc(Oc3ccc(N)cc3)cc(Oc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2
InChIKeyPAPDRIKTCIYHFI-UHFFFAOYSA-N
XLogP5.81
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline?
The IUPAC name of 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline (CID 21185049) is 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline.
What is the SMILES notation for 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline?
The canonical SMILES for 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline is Nc1ccc(Oc2cc(Oc3ccc(N)cc3)cc(Oc3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline?
The InChIKey is PAPDRIKTCIYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2.
What are the key properties of 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline?
4-[3,5-bis(4-aminophenoxy)phenoxy]aniline has a molecular weight of 399.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline is sourced from PubChem (CID 21185049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).