| CAS Number | 1178331-91-3 |
| Catalog Number | AG01AFBY |
| Chemical Name | [1-(2-bromophenyl)butan-2-yl](methyl)amine |
| IUPAC Name | 1-(2-bromophenyl)-N-methylbutan-2-amine |
| InChI | InChI=1S/C11H16BrN/c1-3-10(13-2)8-9-6-4-5-7-11(9)12/h4-7,10,13H,3,8H2,1-2H3 |
| InChI Key | WHOFNJVWHZUXKS-UHFFFAOYSA-N |
| MDL Number | MFCD12154523 |
| Molecular Formula | C11H16BrN |
| Molecular Weight | 242.1554 |
| SMILES | CCC(NC)CC1=C(Br)C=CC=C1 |
| Synonyms | [1-(2-bromophenyl)butan-2-yl](methyl)amine,
1178331-91-3,
NE33220,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.16g/mol |
| Monoisotopic Mass | 241.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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