4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

C22H18N2O2 — CID 2303422

IUPAC4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
SMILESNc1ccc(Oc2ccc3ccc(Oc4ccc(N)cc4)cc3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-2-8-22(14-16(15)13-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2
InChIKeyNGHVXWLOTSZENC-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.59
Rot. Bonds4

About 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline (PubChem CID 2303422) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
PubChem CID2303422
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
SMILESNc1ccc(Oc2ccc3ccc(Oc4ccc(N)cc4)cc3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-2-8-22(14-16(15)13-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2
InChIKeyNGHVXWLOTSZENC-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The IUPAC name of 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline (CID 2303422) is 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline.
What is the SMILES notation for 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The canonical SMILES for 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline is Nc1ccc(Oc2ccc3ccc(Oc4ccc(N)cc4)cc3c2)cc1.
What is the InChIKey of 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The InChIKey is NGHVXWLOTSZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-2-8-22(14-16(15)13-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2.
What are the key properties of 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
4-[7-(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-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline is sourced from PubChem (CID 2303422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).