4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

C22H18N2O2 — CID 19007794

IUPAC4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
SMILESNc1ccc(Oc2ccc3cccc(Oc4ccc(N)cc4)c3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-16-5-10-18(11-6-16)25-20-9-4-15-2-1-3-22(21(15)14-20)26-19-12-7-17(24)8-13-19/h1-14H,23-24H2
InChIKeyZSGGFNJHFRYMOB-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.59
Rot. Bonds4

About 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline (PubChem CID 19007794) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
PubChem CID19007794
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
SMILESNc1ccc(Oc2ccc3cccc(Oc4ccc(N)cc4)c3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-16-5-10-18(11-6-16)25-20-9-4-15-2-1-3-22(21(15)14-20)26-19-12-7-17(24)8-13-19/h1-14H,23-24H2
InChIKeyZSGGFNJHFRYMOB-UHFFFAOYSA-N
XLogP5.59
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The IUPAC name of 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline (CID 19007794) is 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline.
What is the SMILES notation for 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The canonical SMILES for 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline is Nc1ccc(Oc2ccc3cccc(Oc4ccc(N)cc4)c3c2)cc1.
What is the InChIKey of 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The InChIKey is ZSGGFNJHFRYMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-16-5-10-18(11-6-16)25-20-9-4-15-2-1-3-22(21(15)14-20)26-19-12-7-17(24)8-13-19/h1-14H,23-24H2.
What are the key properties of 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline has a molecular weight of 342.40 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-aminophenoxy)naphthalen-2-yl]oxyaniline is sourced from PubChem (CID 19007794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).