| CAS Number | 1096895-23-6 |
| Catalog Number | AG00HBKG(AGN-PC-0WRA2P) |
| Chemical Name | 2-Benzyloxy-5-fluorobenzyl amine |
| IUPAC Name | (5-fluoro-2-phenylmethoxyphenyl)methanamine |
| InChI | InChI=1S/C14H14FNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,9-10,16H2 |
| InChI Key | NDOHRIIEQFBCLX-UHFFFAOYSA-N |
| MDL Number | MFCD11640279 |
| Molecular Formula | C14H14FNO |
| Molecular Weight | 231.2655 |
| SMILES | NCc1cc(F)ccc1OCc1ccccc1 |
| Synonyms | 2-Benzyloxy-5-fluorobenzyl amine,
1096895-23-6,
(2-(Benzyloxy)-5-fluorophenyl)methanamine,
SCHEMBL6216693,
ZINC37237034,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.27g/mol |
| Monoisotopic Mass | 231.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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