| Sonrisas canónicas | CC1COC(CN1)C2=CC=CC=C2C |
|---|---|
| IUPAC Name | 5-methyl-2-(2-methylphenyl)morpholine |
| InChIKey | OLLIJLILAIMCRH-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NO/c1-9-5-3-4-6-11(9)12-7-13-10(2)8-14-12/h3-6,10,12-13H,7-8H2,1-2H3 |
| Isómeros SMILES | CC1COC(CN1)C2=CC=CC=C2C |
| PubChem CID | 43367096 |
| Peso molecular | 191.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Toluenes Aralkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Peso molecular | 191.270 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.131 Da |
| Monoisotopic Mass | 191.131 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
