2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline

C24H20N2O3 — CID 22338470

IUPAC2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(Oc2cccc(Oc3ccccc3N)c2)cc1
InChIInChI=1S/C24H20N2O3/c25-21-8-1-3-10-23(21)28-18-14-12-17(13-15-18)27-19-6-5-7-20(16-19)29-24-11-4-2-9-22(24)26/h1-16H,25-26H2
InChIKeyPHKOMWJQFVJHCT-UHFFFAOYSA-N
MW384.44 g/mol
LogP6.23
Rot. Bonds6

About 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline

2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline (PubChem CID 22338470) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
PubChem CID22338470
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(Oc2cccc(Oc3ccccc3N)c2)cc1
InChIInChI=1S/C24H20N2O3/c25-21-8-1-3-10-23(21)28-18-14-12-17(13-15-18)27-19-6-5-7-20(16-19)29-24-11-4-2-9-22(24)26/h1-16H,25-26H2
InChIKeyPHKOMWJQFVJHCT-UHFFFAOYSA-N
XLogP6.23
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
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-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline
CID 161452691
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
2-(4-tert-butylphenoxy)aniline
CID 26189124
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline?
The IUPAC name of 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline (CID 22338470) is 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline.
What is the SMILES notation for 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline?
The canonical SMILES for 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline is Nc1ccccc1Oc1ccc(Oc2cccc(Oc3ccccc3N)c2)cc1.
What is the InChIKey of 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline?
The InChIKey is PHKOMWJQFVJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c25-21-8-1-3-10-23(21)28-18-14-12-17(13-15-18)27-19-6-5-7-20(16-19)29-24-11-4-2-9-22(24)26/h1-16H,25-26H2.
What are the key properties of 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline?
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline has a molecular weight of 384.44 g/mol, XLogP of 6.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline is sourced from PubChem (CID 22338470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).