4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline

C22H32N2O6 — CID 86203859

IUPAC4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline
SMILESNc1ccc(OCCOCCOCCOCCOCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C22H32N2O6/c23-19-1-5-21(6-2-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-30-22-7-3-20(24)4-8-22/h1-8H,9-18,23-24H2
InChIKeyBNIJANACXKHOLT-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.38
Rot. Bonds17

About 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline

4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline (PubChem CID 86203859) has the molecular formula C22H32N2O6 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline
PubChem CID86203859
Molecular FormulaC22H32N2O6
Molecular Weight420.51 g/mol
Exact Mass420.23
IUPAC Name4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline
SMILESNc1ccc(OCCOCCOCCOCCOCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C22H32N2O6/c23-19-1-5-21(6-2-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-30-22-7-3-20(24)4-8-22/h1-8H,9-18,23-24H2
InChIKeyBNIJANACXKHOLT-UHFFFAOYSA-N
XLogP2.38
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline?
The IUPAC name of 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline (CID 86203859) is 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline.
What is the SMILES notation for 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline?
The canonical SMILES for 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline is Nc1ccc(OCCOCCOCCOCCOCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline?
The InChIKey is BNIJANACXKHOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O6/c23-19-1-5-21(6-2-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-30-22-7-3-20(24)4-8-22/h1-8H,9-18,23-24H2.
What are the key properties of 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline?
4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline has a molecular weight of 420.51 g/mol, XLogP of 2.38, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]aniline is sourced from PubChem (CID 86203859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).