| CAS Number | 1609395-98-3 |
| Catalog Number | AG00J3P4 |
| Chemical Name | [2-(3,4-dimethoxyphenyl)ethyl](3-fluorobenzyl)amine hydrobromide |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]ethanamine;hydrobromide |
| InChI | InChI=1S/C17H20FNO2.BrH/c1-20-16-7-6-13(11-17(16)21-2)8-9-19-12-14-4-3-5-15(18)10-14;/h3-7,10-11,19H,8-9,12H2,1-2H3;1H |
| InChI Key | LHEFVJKYIWQVRN-UHFFFAOYSA-N |
| MDL Number | MFCD13186503 |
| Molecular Formula | C17H21BrFNO2 |
| Molecular Weight | 370.2565 |
| SMILES | C1(OC)=CC(CCNCC2=CC=CC(F)=C2)=CC=C1OC.Br |
| Synonyms | [2-(3,4-dimethoxyphenyl)ethyl](3-fluorobenzyl)amine hydrobromide,
1609395-98-3,
ZX-CM015887,
MFCD13186503,
355381-88-3,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number