3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline

C22H18N2O2 — CID 66887751

IUPAC3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
SMILESNc1cccc(Oc2ccc(Oc3cccc(N)c3)c3ccccc23)c1
InChIInChI=1S/C22H18N2O2/c23-15-5-3-7-17(13-15)25-21-11-12-22(20-10-2-1-9-19(20)21)26-18-8-4-6-16(24)14-18/h1-14H,23-24H2
InChIKeyWTJFWMVZFINOIM-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.59
Rot. Bonds4

About 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline

3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline (PubChem CID 66887751) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline.

Molecular Properties

Compound Name3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
PubChem CID66887751
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
SMILESNc1cccc(Oc2ccc(Oc3cccc(N)c3)c3ccccc23)c1
InChIInChI=1S/C22H18N2O2/c23-15-5-3-7-17(13-15)25-21-11-12-22(20-10-2-1-9-19(20)21)26-18-8-4-6-16(24)14-18/h1-14H,23-24H2
InChIKeyWTJFWMVZFINOIM-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline?
The IUPAC name of 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline (CID 66887751) is 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline.
What is the SMILES notation for 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline?
The canonical SMILES for 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline is Nc1cccc(Oc2ccc(Oc3cccc(N)c3)c3ccccc23)c1.
What is the InChIKey of 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline?
The InChIKey is WTJFWMVZFINOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-15-5-3-7-17(13-15)25-21-11-12-22(20-10-2-1-9-19(20)21)26-18-8-4-6-16(24)14-18/h1-14H,23-24H2.
What are the key properties of 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline?
3-[4-(3-aminophenoxy)naphthalen-1-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 3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline is sourced from PubChem (CID 66887751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).