3-(4-aminophenoxy)-5-phenoxyaniline

C18H16N2O2 — CID 686776

IUPAC3-(4-aminophenoxy)-5-phenoxyaniline
SMILESNc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2O2/c19-13-6-8-16(9-7-13)22-18-11-14(20)10-17(12-18)21-15-4-2-1-3-5-15/h1-12H,19-20H2
InChIKeyLPEBHNULBIWCHC-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.44
Rot. Bonds4

About 3-(4-aminophenoxy)-5-phenoxyaniline

3-(4-aminophenoxy)-5-phenoxyaniline (PubChem CID 686776) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-5-phenoxyaniline.

Molecular Properties

Compound Name3-(4-aminophenoxy)-5-phenoxyaniline
PubChem CID686776
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-(4-aminophenoxy)-5-phenoxyaniline
SMILESNc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2O2/c19-13-6-8-16(9-7-13)22-18-11-14(20)10-17(12-18)21-15-4-2-1-3-5-15/h1-12H,19-20H2
InChIKeyLPEBHNULBIWCHC-UHFFFAOYSA-N
XLogP4.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.44
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

4-phenoxyaniline
CID 158390066
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-(4-aminophenoxy)aniline
CID 161415647
3-phenoxy-5-pyridin-1-ium-3-yloxyaniline
CID 4744606
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-5-phenoxyaniline?
The IUPAC name of 3-(4-aminophenoxy)-5-phenoxyaniline (CID 686776) is 3-(4-aminophenoxy)-5-phenoxyaniline.
What is the SMILES notation for 3-(4-aminophenoxy)-5-phenoxyaniline?
The canonical SMILES for 3-(4-aminophenoxy)-5-phenoxyaniline is Nc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-5-phenoxyaniline?
The InChIKey is LPEBHNULBIWCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-13-6-8-16(9-7-13)22-18-11-14(20)10-17(12-18)21-15-4-2-1-3-5-15/h1-12H,19-20H2.
What are the key properties of 3-(4-aminophenoxy)-5-phenoxyaniline?
3-(4-aminophenoxy)-5-phenoxyaniline has a molecular weight of 292.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-5-phenoxyaniline is sourced from PubChem (CID 686776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).