4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline

C32H28N2O2 — CID 14122157

IUPAC4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline
SMILESCC(c1ccccc1)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C32H28N2O2/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)35-30-19-11-26(33)12-20-30)25-9-17-29(18-10-25)36-31-21-13-27(34)14-22-31/h2-22H,33-34H2,1H3
InChIKeyZORDDHGAHBVRDS-UHFFFAOYSA-N
MW472.59 g/mol
LogP7.79
Rot. Bonds7

About 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline

4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline (PubChem CID 14122157) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline
PubChem CID14122157
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline
SMILESCC(c1ccccc1)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C32H28N2O2/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)35-30-19-11-26(33)12-20-30)25-9-17-29(18-10-25)36-31-21-13-27(34)14-22-31/h2-22H,33-34H2,1H3
InChIKeyZORDDHGAHBVRDS-UHFFFAOYSA-N
XLogP7.79
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.79
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]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-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline?
The IUPAC name of 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline (CID 14122157) is 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline.
What is the SMILES notation for 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline?
The canonical SMILES for 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline is CC(c1ccccc1)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline?
The InChIKey is ZORDDHGAHBVRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)35-30-19-11-26(33)12-20-30)25-9-17-29(18-10-25)36-31-21-13-27(34)14-22-31/h2-22H,33-34H2,1H3.
What are the key properties of 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline?
4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline has a molecular weight of 472.59 g/mol, XLogP of 7.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-phenylethyl]phenoxy]aniline is sourced from PubChem (CID 14122157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).