4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine

C24H24N4O2 — CID 158070504

IUPAC4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
SMILESNc1ccc(N)cc1.Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C18H16N2O2.C6H8N2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16;7-5-1-2-6(8)4-3-5/h1-12H,19-20H2;1-4H,7-8H2
InChIKeyFLTMOWAPPVBPLF-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.29
Rot. Bonds4

About 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine

4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine (PubChem CID 158070504) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
PubChem CID158070504
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
SMILESNc1ccc(N)cc1.Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C18H16N2O2.C6H8N2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16;7-5-1-2-6(8)4-3-5/h1-12H,19-20H2;1-4H,7-8H2
InChIKeyFLTMOWAPPVBPLF-UHFFFAOYSA-N
XLogP5.29
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline
CID 23389994
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-phenoxyaniline
CID 158390066
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4-(4-aminophenoxy)aniline
CID 161415647
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
3-(3-phenoxyphenoxy)aniline
CID 68727404
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine?
The IUPAC name of 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine (CID 158070504) is 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine.
What is the SMILES notation for 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine?
The canonical SMILES for 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine is Nc1ccc(N)cc1.Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine?
The InChIKey is FLTMOWAPPVBPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.C6H8N2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16;7-5-1-2-6(8)4-3-5/h1-12H,19-20H2;1-4H,7-8H2.
What are the key properties of 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine?
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine has a molecular weight of 400.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine is sourced from PubChem (CID 158070504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).