5-Chloro-2-(4-ethoxyphenoxy)aniline

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Basic information

CAS: 16824-53-6
Standard SMILES: CCOc1ccc(Oc2ccc(Cl)cc2N)cc1
InChIKey: WWIYDYKMHCBXHB-UHFFFAOYSA-N
Molecular formula: C14H14ClNO2
Average molar mass: 263.72 g/mol
Monoisotopic mass: 263.0713064

Names & identifiers

Preferred name: 5-Chloro-2-(4-ethoxyphenoxy)aniline
IUPAC: 5-chloro-2-(4-ethoxyphenoxy)aniline
English name: 5-Chloro-2-(4-ethoxyphenoxy)aniline
Molecular formula: C14H14ClNO2
Molecular weight: 263.72

Names & synonyms

5-chloro-2-(4-ethoxyphenoxy)aniline16824-53-6CHEMBL1619148DTXSID901280593AKOS000101570SB817055-Chloro-2-(4-ethoxyphenoxy)benzenamineCS-0299423EN300-40662AKOS B034426Benzenamine, 5-chloro-2-(4-ethoxyphenoxy)-

Database identifiers

CAS: 16824-53-6
PubChem CID: 3770656
DTXSID: DTXSID901280593
ChEMBL: CHEMBL1619148

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 244

Physicochemical properties

Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_code: Xi
hazard_class: IRRITANT

Related reactions

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Compound notes

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