4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

C22H18N2O2 — CID 21253702

IUPAC4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
SMILESNc1ccc(Oc2ccc3cc(Oc4ccc(N)cc4)ccc3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-13-22(8-2-16(15)14-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2
InChIKeyFTBKLDUVEBIPHH-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.59
Rot. Bonds4

About 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline (PubChem CID 21253702) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
PubChem CID21253702
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
SMILESNc1ccc(Oc2ccc3cc(Oc4ccc(N)cc4)ccc3c2)cc1
InChIInChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-13-22(8-2-16(15)14-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2
InChIKeyFTBKLDUVEBIPHH-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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Related Compounds

4-(4-aminophenoxy)aniline
CID 161415647
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
4-phenoxyaniline
CID 158390066
4-naphthalen-2-yloxybenzene-1,2-diamine
CID 106748292
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458
4-[4-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253700

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The IUPAC name of 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline (CID 21253702) is 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline.
What is the SMILES notation for 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The canonical SMILES for 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline is Nc1ccc(Oc2ccc3cc(Oc4ccc(N)cc4)ccc3c2)cc1.
What is the InChIKey of 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
The InChIKey is FTBKLDUVEBIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-13-22(8-2-16(15)14-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2.
What are the key properties of 4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline?
4-[6-(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-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline is sourced from PubChem (CID 21253702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).