| CAS Number | 625407-59-2 |
| Catalog Number | AG019LR1 |
| Chemical Name | N-[(3,5-dimethoxyphenyl)methyl]aniline |
| IUPAC Name | N-[(3,5-dimethoxyphenyl)methyl]aniline |
| InChI | InChI=1S/C15H17NO2/c1-17-14-8-12(9-15(10-14)18-2)11-16-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3 |
| InChI Key | BCDMYZJLMDIQNR-UHFFFAOYSA-N |
| MDL Number | MFCD01468696 |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.3010 |
| SMILES | COC1=CC(OC)=CC(CNC2=CC=CC=C2)=C1 |
| Synonyms | N-[(3,5-dimethoxyphenyl)methyl]aniline,
625407-59-2,
Oprea1_727345,
N-(3,5-Dimethoxybenzyl)aniline,
ZINC19879697,
AKOS000228444,
NE61012,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.306g/mol |
| Monoisotopic Mass | 243.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number