3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline

C24H20N2O2 — CID 18624388

IUPAC3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline
SMILESNc1cccc(Oc2cccc(-c3ccccc3)c2Oc2cccc(N)c2)c1
InChIInChI=1S/C24H20N2O2/c25-18-9-4-11-20(15-18)27-23-14-6-13-22(17-7-2-1-3-8-17)24(23)28-21-12-5-10-19(26)16-21/h1-16H,25-26H2
InChIKeyFRUICBCGAKGNAZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.10
Rot. Bonds5

About 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline

3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline (PubChem CID 18624388) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline.

Molecular Properties

Compound Name3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline
PubChem CID18624388
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline
SMILESNc1cccc(Oc2cccc(-c3ccccc3)c2Oc2cccc(N)c2)c1
InChIInChI=1S/C24H20N2O2/c25-18-9-4-11-20(15-18)27-23-14-6-13-22(17-7-2-1-3-8-17)24(23)28-21-12-5-10-19(26)16-21/h1-16H,25-26H2
InChIKeyFRUICBCGAKGNAZ-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline?
The IUPAC name of 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline (CID 18624388) is 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline.
What is the SMILES notation for 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline?
The canonical SMILES for 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline is Nc1cccc(Oc2cccc(-c3ccccc3)c2Oc2cccc(N)c2)c1.
What is the InChIKey of 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline?
The InChIKey is FRUICBCGAKGNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c25-18-9-4-11-20(15-18)27-23-14-6-13-22(17-7-2-1-3-8-17)24(23)28-21-12-5-10-19(26)16-21/h1-16H,25-26H2.
What are the key properties of 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline?
3-[2-(3-aminophenoxy)-3-phenylphenoxy]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 3-[2-(3-aminophenoxy)-3-phenylphenoxy]aniline is sourced from PubChem (CID 18624388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).