| Canonical Smiles | COCCOC1=C(C=C(C=C1)Cl)N |
|---|---|
| IUPAC Name | 5-chloro-2-(2-methoxyethoxy)aniline |
| InChIKey | HZDNETPVJJWZNB-UHFFFAOYSA-N |
| INCHI | 1S/C9H12ClNO2/c1-12-4-5-13-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,11H2,1H3 |
| Isomeric SMILES | COCCOC1=C(C=C(C=C1)Cl)N |
| PubChem CID | 4779155 |
| Molecular Weight | 201.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Phenoxy compounds Aniline and substituted anilines Chlorobenzenes Alkyl aryl ethers Aryl chlorides Dialkyl ethers Primary amines Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Dialkyl ether - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 201.650 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 201.056 Da |
| Monoisotopic Mass | 201.056 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 146.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
