3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline

C24H20N2O2 — CID 18381163

IUPAC3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
SMILESNc1cccc(Oc2ccc(-c3cccc(Oc4cccc(N)c4)c3)cc2)c1
InChIInChI=1S/C24H20N2O2/c25-19-5-2-8-23(15-19)27-21-12-10-17(11-13-21)18-4-1-7-22(14-18)28-24-9-3-6-20(26)16-24/h1-16H,25-26H2
InChIKeyOSYIROQVSVAEAH-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.10
Rot. Bonds5

About 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline

3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline (PubChem CID 18381163) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
PubChem CID18381163
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
SMILESNc1cccc(Oc2ccc(-c3cccc(Oc4cccc(N)c4)c3)cc2)c1
InChIInChI=1S/C24H20N2O2/c25-19-5-2-8-23(15-19)27-21-12-10-17(11-13-21)18-4-1-7-22(14-18)28-24-9-3-6-20(26)16-24/h1-16H,25-26H2
InChIKeyOSYIROQVSVAEAH-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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Related Compounds

3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline
CID 18517163
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline
CID 102200409
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline?
The IUPAC name of 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline (CID 18381163) is 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline.
What is the SMILES notation for 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline?
The canonical SMILES for 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline is Nc1cccc(Oc2ccc(-c3cccc(Oc4cccc(N)c4)c3)cc2)c1.
What is the InChIKey of 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline?
The InChIKey is OSYIROQVSVAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c25-19-5-2-8-23(15-19)27-21-12-10-17(11-13-21)18-4-1-7-22(14-18)28-24-9-3-6-20(26)16-24/h1-16H,25-26H2.
What are the key properties of 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline?
3-[4-[3-(3-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 3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline is sourced from PubChem (CID 18381163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).