4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline

C18H15ClN2O2 — CID 141268738

IUPAC4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
SMILESNc1ccc(Oc2cc(Cl)cc(Oc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C18H15ClN2O2/c19-12-9-17(22-15-5-1-13(20)2-6-15)11-18(10-12)23-16-7-3-14(21)4-8-16/h1-11H,20-21H2
InChIKeyNWWQCWKMNLSXDT-UHFFFAOYSA-N
MW326.78 g/mol
LogP5.09
Rot. Bonds4

About 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline

4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline (PubChem CID 141268738) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
PubChem CID141268738
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
SMILESNc1ccc(Oc2cc(Cl)cc(Oc3ccc(N)cc3)c2)cc1
InChIInChI=1S/C18H15ClN2O2/c19-12-9-17(22-15-5-1-13(20)2-6-15)11-18(10-12)23-16-7-3-14(21)4-8-16/h1-11H,20-21H2
InChIKeyNWWQCWKMNLSXDT-UHFFFAOYSA-N
XLogP5.09
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.78
LogP ≤ 55.09
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-(3-chloro-5-fluorophenoxy)aniline
CID 67236679
4-(4-aminophenoxy)aniline
CID 161415647
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane
CID 144941358
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
5-(4-aminophenoxy)-2-chlorophenol
CID 129011714
4-phenoxyaniline
CID 158390066
1-chloro-3-methyl-5-(4-methylphenoxy)benzene
CID 20577508
4-[2,4-dichloro-6-(trifluoromethyl)phenoxy]aniline
CID 71391087
1,4-bis(4-chlorophenoxy)benzene
CID 10996522

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline (CID 141268738) is 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline is Nc1ccc(Oc2cc(Cl)cc(Oc3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline?
The InChIKey is NWWQCWKMNLSXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-12-9-17(22-15-5-1-13(20)2-6-15)11-18(10-12)23-16-7-3-14(21)4-8-16/h1-11H,20-21H2.
What are the key properties of 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline?
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline has a molecular weight of 326.78 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline is sourced from PubChem (CID 141268738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).