2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline

C24H20N2O2 — CID 22184044

IUPAC2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(-c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C24H20N2O2/c25-21-5-1-3-7-23(21)27-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-24-8-4-2-6-22(24)26/h1-16H,25-26H2
InChIKeyDUCHOMQDJBOBMI-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.10
Rot. Bonds5

About 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline

2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline (PubChem CID 22184044) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline.

Molecular Properties

Compound Name2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline
PubChem CID22184044
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(-c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C24H20N2O2/c25-21-5-1-3-7-23(21)27-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-24-8-4-2-6-22(24)26/h1-16H,25-26H2
InChIKeyDUCHOMQDJBOBMI-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 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline?
The IUPAC name of 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline (CID 22184044) is 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline.
What is the SMILES notation for 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline?
The canonical SMILES for 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline is Nc1ccccc1Oc1ccc(-c2ccc(Oc3ccccc3N)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline?
The InChIKey is DUCHOMQDJBOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c25-21-5-1-3-7-23(21)27-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-24-8-4-2-6-22(24)26/h1-16H,25-26H2.
What are the key properties of 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline?
2-[4-[4-(2-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 2-[4-[4-(2-aminophenoxy)phenyl]phenoxy]aniline is sourced from PubChem (CID 22184044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).