4-phenoxyaniline

C24H22N2O2 — CID 158390066

IUPAC4-phenoxyaniline
SMILESNc1ccc(Oc2ccccc2)cc1.Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/2C12H11NO/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2*1-9H,13H2
InChIKeyGWVQWPVBNXRJOT-UHFFFAOYSA-N
MW370.45 g/mol
LogP6.12
Rot. Bonds4

About 4-phenoxyaniline

4-phenoxyaniline (PubChem CID 158390066) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-phenoxyaniline.

Molecular Properties

Compound Name4-phenoxyaniline
PubChem CID158390066
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-phenoxyaniline
SMILESNc1ccc(Oc2ccccc2)cc1.Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/2C12H11NO/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2*1-9H,13H2
InChIKeyGWVQWPVBNXRJOT-UHFFFAOYSA-N
XLogP6.12
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-aminophenoxy)-5-phenoxyaniline
CID 686776
4-(4-aminophenoxy)aniline
CID 161415647
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
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
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
CID 102043928
1,1,1,2,2,3-hexafluoropropane;4-phenoxyaniline
CID 175083375
bis(4-phenoxyaniline);trimethyl(methylsilyloxy)silane
CID 175052083
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912

Frequently Asked Questions

What is the IUPAC name of 4-phenoxyaniline?
The IUPAC name of 4-phenoxyaniline (CID 158390066) is 4-phenoxyaniline.
What is the SMILES notation for 4-phenoxyaniline?
The canonical SMILES for 4-phenoxyaniline is Nc1ccc(Oc2ccccc2)cc1.Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxyaniline?
The InChIKey is GWVQWPVBNXRJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2*1-9H,13H2.
What are the key properties of 4-phenoxyaniline?
4-phenoxyaniline has a molecular weight of 370.45 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxyaniline is sourced from PubChem (CID 158390066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).