| CAS Number | 1609407-34-2 |
| Catalog Number | AG00J3ON |
| Chemical Name | N-(2,4-dimethoxybenzyl)-2-(3-fluorophenyl)ethanamine hydrobromide |
| IUPAC Name | N-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine;hydrobromide |
| InChI | InChI=1S/C17H20FNO2.BrH/c1-20-16-7-6-14(17(11-16)21-2)12-19-9-8-13-4-3-5-15(18)10-13;/h3-7,10-11,19H,8-9,12H2,1-2H3;1H |
| InChI Key | WBGPLQGRYRJSAM-UHFFFAOYSA-N |
| MDL Number | MFCD13186478 |
| Molecular Formula | C17H21BrFNO2 |
| Molecular Weight | 370.2565 |
| SMILES | C1(OC)=CC(OC)=CC=C1CNCCC1=CC=CC(F)=C1.Br |
| Synonyms | N-(2,4-dimethoxybenzyl)-2-(3-fluorophenyl)ethanamine hydrobromide,
1609407-34-2,
ZX-CM015928,
MFCD13186478,
355381-59-8,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.262g/mol |
| Monoisotopic Mass | 369.074g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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