4-(4-aminophenoxy)aniline

C24H24N4O2 — CID 161415647

IUPAC4-(4-aminophenoxy)aniline
SMILESNc1ccc(Oc2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/2C12H12N2O/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h2*1-8H,13-14H2
InChIKeyVWAXWVUVEMNRNM-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.29
Rot. Bonds4

About 4-(4-aminophenoxy)aniline

4-(4-aminophenoxy)aniline (PubChem CID 161415647) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(4-aminophenoxy)aniline.

Molecular Properties

Compound Name4-(4-aminophenoxy)aniline
PubChem CID161415647
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(4-aminophenoxy)aniline
SMILESNc1ccc(Oc2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/2C12H12N2O/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h2*1-8H,13-14H2
InChIKeyVWAXWVUVEMNRNM-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

4-phenoxyaniline
CID 158390066
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
[4-(4-aminophenoxy)phenyl]-oxosulfanium
CID 174991384
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
4-(4-ethynylphenoxy)aniline
CID 19809286
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)aniline?
The IUPAC name of 4-(4-aminophenoxy)aniline (CID 161415647) is 4-(4-aminophenoxy)aniline.
What is the SMILES notation for 4-(4-aminophenoxy)aniline?
The canonical SMILES for 4-(4-aminophenoxy)aniline is Nc1ccc(Oc2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)aniline?
The InChIKey is VWAXWVUVEMNRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h2*1-8H,13-14H2.
What are the key properties of 4-(4-aminophenoxy)aniline?
4-(4-aminophenoxy)aniline 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-(4-aminophenoxy)aniline is sourced from PubChem (CID 161415647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).