3-[2-(3-phenoxyphenoxy)phenoxy]aniline

C24H19NO3 — CID 141038666

IUPAC3-[2-(3-phenoxyphenoxy)phenoxy]aniline
SMILESNc1cccc(Oc2ccccc2Oc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C24H19NO3/c25-18-8-6-11-20(16-18)27-23-14-4-5-15-24(23)28-22-13-7-12-21(17-22)26-19-9-2-1-3-10-19/h1-17H,25H2
InChIKeyXCOYUZYQTBRPLK-UHFFFAOYSA-N
MW369.42 g/mol
LogP6.65
Rot. Bonds6

About 3-[2-(3-phenoxyphenoxy)phenoxy]aniline

3-[2-(3-phenoxyphenoxy)phenoxy]aniline (PubChem CID 141038666) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[2-(3-phenoxyphenoxy)phenoxy]aniline.

Molecular Properties

Compound Name3-[2-(3-phenoxyphenoxy)phenoxy]aniline
PubChem CID141038666
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name3-[2-(3-phenoxyphenoxy)phenoxy]aniline
SMILESNc1cccc(Oc2ccccc2Oc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C24H19NO3/c25-18-8-6-11-20(16-18)27-23-14-4-5-15-24(23)28-22-13-7-12-21(17-22)26-19-9-2-1-3-10-19/h1-17H,25H2
InChIKeyXCOYUZYQTBRPLK-UHFFFAOYSA-N
XLogP6.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[2-(3-phenoxyphenoxy)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

Related Compounds

3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-chlorophenoxy]-2-chlorophenoxy]phenoxy]aniline
CID 22338531
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-phenoxyphenoxy)phenoxy]aniline?
The IUPAC name of 3-[2-(3-phenoxyphenoxy)phenoxy]aniline (CID 141038666) is 3-[2-(3-phenoxyphenoxy)phenoxy]aniline.
What is the SMILES notation for 3-[2-(3-phenoxyphenoxy)phenoxy]aniline?
The canonical SMILES for 3-[2-(3-phenoxyphenoxy)phenoxy]aniline is Nc1cccc(Oc2ccccc2Oc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-[2-(3-phenoxyphenoxy)phenoxy]aniline?
The InChIKey is XCOYUZYQTBRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c25-18-8-6-11-20(16-18)27-23-14-4-5-15-24(23)28-22-13-7-12-21(17-22)26-19-9-2-1-3-10-19/h1-17H,25H2.
What are the key properties of 3-[2-(3-phenoxyphenoxy)phenoxy]aniline?
3-[2-(3-phenoxyphenoxy)phenoxy]aniline has a molecular weight of 369.42 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-phenoxyphenoxy)phenoxy]aniline is sourced from PubChem (CID 141038666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).