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

C24H20N2O3 — CID 22338600

IUPAC2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1N
InChIInChI=1S/C24H20N2O3/c25-17-9-1-3-11-19(17)27-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)28-20-12-4-2-10-18(20)26/h1-16H,25-26H2
InChIKeyQHXGQHLKDODBGD-UHFFFAOYSA-N
MW384.44 g/mol
LogP6.23
Rot. Bonds6

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

2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline (PubChem CID 22338600) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
PubChem CID22338600
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1N
InChIInChI=1S/C24H20N2O3/c25-17-9-1-3-11-19(17)27-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)28-20-12-4-2-10-18(20)26/h1-16H,25-26H2
InChIKeyQHXGQHLKDODBGD-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
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
CID 50944455
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453
2-(2-aminophenoxy)peroxyaniline
CID 15807265
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-methoxyaniline;dihydrochloride
CID 69020746
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
CID 67055511

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline?
The IUPAC name of 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline (CID 22338600) is 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline.
What is the SMILES notation for 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline?
The canonical SMILES for 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline is Nc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1N.
What is the InChIKey of 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline?
The InChIKey is QHXGQHLKDODBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c25-17-9-1-3-11-19(17)27-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)28-20-12-4-2-10-18(20)26/h1-16H,25-26H2.
What are the key properties of 2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline?
2-[2-[2-(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-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline is sourced from PubChem (CID 22338600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).