| CAS Number | 1019542-69-8 |
| Catalog Number | AG00904F |
| Chemical Name | N-(3,4-Dimethoxyphenyl)-4-fluorobenzylamine |
| IUPAC Name | N-[(4-fluorophenyl)methyl]-3,4-dimethoxyaniline |
| InChI | InChI=1S/C15H16FNO2/c1-18-14-8-7-13(9-15(14)19-2)17-10-11-3-5-12(16)6-4-11/h3-9,17H,10H2,1-2H3 |
| InChI Key | HNTRLHCVROKZFX-UHFFFAOYSA-N |
| MDL Number | MFCD11924932 |
| Molecular Formula | C15H16FNO2 |
| Molecular Weight | 261.2914 |
| SMILES | COc1ccc(NCc2ccc(F)cc2)cc1OC |
| Synonyms | N-(4-Fluorobenzyl)-3,4-dimethoxyaniline,
1019542-69-8,
N-(3,4-Dimethoxyphenyl)-4-fluorobenzylamine,
MFCD11924932,
ZINC19908425,
AKOS000233500,
3,4-DiMethoxy-N-(4-fluorobenzyl)aniline, 97%,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.296g/mol |
| Monoisotopic Mass | 261.117g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number