2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline

C24H20N2O — CID 66972301

IUPAC2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
SMILESNc1ccccc1-c1cccc(Oc2cccc(-c3ccccc3N)c2)c1
InChIInChI=1S/C24H20N2O/c25-23-13-3-1-11-21(23)17-7-5-9-19(15-17)27-20-10-6-8-18(16-20)22-12-2-4-14-24(22)26/h1-16H,25-26H2
InChIKeyVDLASZUCOGPJHT-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.98
Rot. Bonds4

About 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline

2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline (PubChem CID 66972301) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline.

Molecular Properties

Compound Name2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
PubChem CID66972301
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
SMILESNc1ccccc1-c1cccc(Oc2cccc(-c3ccccc3N)c2)c1
InChIInChI=1S/C24H20N2O/c25-23-13-3-1-11-21(23)17-7-5-9-19(15-17)27-20-10-6-8-18(16-20)22-12-2-4-14-24(22)26/h1-16H,25-26H2
InChIKeyVDLASZUCOGPJHT-UHFFFAOYSA-N
XLogP5.98
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline?
The IUPAC name of 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline (CID 66972301) is 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline.
What is the SMILES notation for 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline?
The canonical SMILES for 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline is Nc1ccccc1-c1cccc(Oc2cccc(-c3ccccc3N)c2)c1.
What is the InChIKey of 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline?
The InChIKey is VDLASZUCOGPJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-23-13-3-1-11-21(23)17-7-5-9-19(15-17)27-20-10-6-8-18(16-20)22-12-2-4-14-24(22)26/h1-16H,25-26H2.
What are the key properties of 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline?
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline has a molecular weight of 352.44 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline is sourced from PubChem (CID 66972301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).