| Sonrisas canónicas | CC1=C(C=CC(=C1)OC)CN |
|---|---|
| IUPAC Name | (4-methoxy-2-methylphenyl)methanamine |
| InChIKey | RYTPCWXDKCCDBI-UHFFFAOYSA-N |
| INCHI | 1S/C9H13NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,6,10H2,1-2H3 |
| Isómeros SMILES | CC1=C(C=CC(=C1)OC)CN |
| CAS alternativo | 21883-14-7 |
| PubChem CID | 22086943 |
| Peso molecular | 151.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Toluenes Aralkylamines Alkyl aryl ethers Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Toluene - Alkyl aryl ether - Aralkylamine - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Peso molecular | 151.210 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 151.1 Da |
| Monoisotopic Mass | 151.1 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
