3-[2,5-bis(4-aminophenyl)phenoxy]aniline

C24H21N3O — CID 161035484

IUPAC3-[2,5-bis(4-aminophenyl)phenoxy]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3)c(Oc3cccc(N)c3)c2)cc1
InChIInChI=1S/C24H21N3O/c25-19-9-4-16(5-10-19)18-8-13-23(17-6-11-20(26)12-7-17)24(14-18)28-22-3-1-2-21(27)15-22/h1-15H,25-27H2
InChIKeyUAESJFCANZJRTR-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.56
Rot. Bonds4

About 3-[2,5-bis(4-aminophenyl)phenoxy]aniline

3-[2,5-bis(4-aminophenyl)phenoxy]aniline (PubChem CID 161035484) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[2,5-bis(4-aminophenyl)phenoxy]aniline.

Molecular Properties

Compound Name3-[2,5-bis(4-aminophenyl)phenoxy]aniline
PubChem CID161035484
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-[2,5-bis(4-aminophenyl)phenoxy]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3)c(Oc3cccc(N)c3)c2)cc1
InChIInChI=1S/C24H21N3O/c25-19-9-4-16(5-10-19)18-8-13-23(17-6-11-20(26)12-7-17)24(14-18)28-22-3-1-2-21(27)15-22/h1-15H,25-27H2
InChIKeyUAESJFCANZJRTR-UHFFFAOYSA-N
XLogP5.56
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline
CID 102200409
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
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-[3-(4-aminophenoxy)-2-iodophenoxy]aniline
CID 118976058

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-bis(4-aminophenyl)phenoxy]aniline?
The IUPAC name of 3-[2,5-bis(4-aminophenyl)phenoxy]aniline (CID 161035484) is 3-[2,5-bis(4-aminophenyl)phenoxy]aniline.
What is the SMILES notation for 3-[2,5-bis(4-aminophenyl)phenoxy]aniline?
The canonical SMILES for 3-[2,5-bis(4-aminophenyl)phenoxy]aniline is Nc1ccc(-c2ccc(-c3ccc(N)cc3)c(Oc3cccc(N)c3)c2)cc1.
What is the InChIKey of 3-[2,5-bis(4-aminophenyl)phenoxy]aniline?
The InChIKey is UAESJFCANZJRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c25-19-9-4-16(5-10-19)18-8-13-23(17-6-11-20(26)12-7-17)24(14-18)28-22-3-1-2-21(27)15-22/h1-15H,25-27H2.
What are the key properties of 3-[2,5-bis(4-aminophenyl)phenoxy]aniline?
3-[2,5-bis(4-aminophenyl)phenoxy]aniline has a molecular weight of 367.45 g/mol, XLogP of 5.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-bis(4-aminophenyl)phenoxy]aniline is sourced from PubChem (CID 161035484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).