| Sonrisas canónicas | CNC1=CC(=C(C(=C1)OC)OC)OC |
|---|---|
| IUPAC Name | 3,4,5-trimethoxy-N-methylaniline |
| InChIKey | XBSMHLZMLQNTLY-UHFFFAOYSA-N |
| INCHI | 1S/C10H15NO3/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3/h5-6,11H,1-4H3 |
| Isómeros SMILES | CNC1=CC(=C(C(=C1)OC)OC)OC |
| PubChem CID | 14481985 |
| Peso molecular | 197.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Methoxyanilines Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Ether - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Peso molecular | 197.230 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 197.105 Da |
| Monoisotopic Mass | 197.105 Da |
| Topological Polar Surface Area | 39.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 |
