| Sonrisas canónicas | COC1=C(C=C(C=C1)Cl)CCN |
|---|---|
| IUPAC Name | 2-(5-chloro-2-methoxyphenyl)ethanamine |
| InChIKey | YDRHMPXHIWRLIE-UHFFFAOYSA-N |
| INCHI | 1S/C9H12ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3 |
| Peso molecular | 185.65 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenethylamines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles 2-arylethylamines Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenethylamine - Anisole - Phenoxy compound - Phenol ether - 2-arylethylamine - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Organopnictogen compound - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. |
| External Descriptors | Not available |
| Peso molecular | 185.650 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 185.061 Da |
| Monoisotopic Mass | 185.061 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
