| CAS Number | 1609407-19-3 |
| Catalog Number | AG00J3NG |
| Chemical Name | N-(4-methoxy-2,5-dimethylbenzyl)-2-phenylethanamine hydrobromide |
| IUPAC Name | N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylethanamine;hydrobromide |
| InChI | InChI=1S/C18H23NO.BrH/c1-14-12-18(20-3)15(2)11-17(14)13-19-10-9-16-7-5-4-6-8-16;/h4-8,11-12,19H,9-10,13H2,1-3H3;1H |
| InChI Key | WDVWAPXQEOSZEP-UHFFFAOYSA-N |
| MDL Number | MFCD13186426 |
| Molecular Formula | C18H24BrNO |
| Molecular Weight | 350.2933 |
| SMILES | C1(OC)=C(C)C=C(C(C)=C1)CNCCC1=CC=CC=C1.Br |
| Synonyms | N-(4-methoxy-2,5-dimethylbenzyl)-2-phenylethanamine hydrobromide,
1609407-19-3,
ZX-CM015781,
MFCD13186426,
355383-21-0,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.3g/mol |
| Monoisotopic Mass | 349.104g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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