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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C1=CC=CC=C1)N2CC(OCC2=O)C3=CC=C(C=C3)Br |
|---|---|
| IUPAC Name | (6R)-6-(4-bromophenyl)-4-[(1S)-1-phenylethyl]morpholin-3-one |
| InChIKey | SESJCTYJGGWWDG-GUYCJALGSA-N |
| INCHI | 1S/C18H18BrNO2/c1-13(14-5-3-2-4-6-14)20-11-17(22-12-18(20)21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3/t13-,17-/m0/s1 |
| Isomeric SMILES | C[C@@H](C1=CC=CC=C1)N2C[C@H](OCC2=O)C3=CC=C(C=C3)Br |
| Alternate CAS | 920801-93-0 |
| PubChem CID | 67353568 |
| Molecular Weight | 360.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 360.200 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 359.052 Da |
| Monoisotopic Mass | 359.052 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 375.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |