| CAS Number | 2007909-78-4 |
| Catalog Number | AG01EFN4 |
| Chemical Name | 1-Benzyl-4-(2-Bromo-6-Methoxyphenyl)Pyrrolidin-3-Amine |
| IUPAC Name | 1-benzyl-4-(2-bromo-6-methoxyphenyl)pyrrolidin-3-amine |
| InChI | InChI=1S/C18H21BrN2O/c1-22-17-9-5-8-15(19)18(17)14-11-21(12-16(14)20)10-13-6-3-2-4-7-13/h2-9,14,16H,10-12,20H2,1H3 |
| InChI Key | MWQVTTQCTVKZTF-UHFFFAOYSA-N |
| MDL Number | MFCD30471768 |
| Molecular Formula | C18H21BrN2O |
| Molecular Weight | 361.2761 |
| SMILES | COc1cccc(Br)c1C1CN(Cc2ccccc2)CC1N |
| Synonyms | 1-benzyl-4-(2-bromo-6-methoxyphenyl)pyrrolidin-3-amine,
AKOS030627975,
CS-0039620,
3-Pyrrolidinamine, 4-(2-bromo-6-methoxyphenyl)-1-(phenylmethyl)-,
2007909-78-4,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.283g/mol |
| Monoisotopic Mass | 360.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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