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

C30H24N2O4 — CID 22338373

IUPAC2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccccc1Oc1ccc(Oc2ccccc2Oc2ccccc2N)cc1
InChIInChI=1S/C30H24N2O4/c31-23-9-1-3-11-25(23)35-29-15-7-5-13-27(29)33-21-17-19-22(20-18-21)34-28-14-6-8-16-30(28)36-26-12-4-2-10-24(26)32/h1-20H,31-32H2
InChIKeyCBFUBBXLCYQLAF-UHFFFAOYSA-N
MW476.53 g/mol
LogP8.02
Rot. Bonds8

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

2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline (PubChem CID 22338373) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
PubChem CID22338373
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccccc1Oc1ccc(Oc2ccccc2Oc2ccccc2N)cc1
InChIInChI=1S/C30H24N2O4/c31-23-9-1-3-11-25(23)35-29-15-7-5-13-27(29)33-21-17-19-22(20-18-21)34-28-14-6-8-16-30(28)36-26-12-4-2-10-24(26)32/h1-20H,31-32H2
InChIKeyCBFUBBXLCYQLAF-UHFFFAOYSA-N
XLogP8.02
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
2-(4-tert-butylphenoxy)aniline
CID 26189124
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline
CID 161452691
2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride
CID 70475326
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
2-[4-(4-ethylphenyl)phenoxy]aniline
CID 170400080
2-[4-(trifluoromethylsulfanyl)phenoxy]aniline
CID 54772422
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline?
The IUPAC name of 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline (CID 22338373) is 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline.
What is the SMILES notation for 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline?
The canonical SMILES for 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline is Nc1ccccc1Oc1ccccc1Oc1ccc(Oc2ccccc2Oc2ccccc2N)cc1.
What is the InChIKey of 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline?
The InChIKey is CBFUBBXLCYQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c31-23-9-1-3-11-25(23)35-29-15-7-5-13-27(29)33-21-17-19-22(20-18-21)34-28-14-6-8-16-30(28)36-26-12-4-2-10-24(26)32/h1-20H,31-32H2.
What are the key properties of 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline?
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline has a molecular weight of 476.53 g/mol, XLogP of 8.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline is sourced from PubChem (CID 22338373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).