| CAS Number | 1546851-83-5 |
| Catalog Number | AG01B80V |
| Chemical Name | [(2-bromo-4-methylphenyl)methyl][(thiophen-2-yl)methyl]amine |
| IUPAC Name | 1-(2-bromo-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine |
| InChI | InChI=1S/C13H14BrNS/c1-10-4-5-11(13(14)7-10)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3 |
| InChI Key | PDXYRAVNHHAJSX-UHFFFAOYSA-N |
| MDL Number | MFCD24229505 |
| Molecular Formula | C13H14BrNS |
| Molecular Weight | 296.2260 |
| SMILES | CC1=CC(Br)=C(CNCC2SC=CC=2)C=C1 |
| Synonyms | 1546851-83-5,
[(2-bromo-4-methylphenyl)methyl](thiophen-2-ylmethyl)amine,
ZINC125918857,
[(2-Bromo-4-methylphenyl)methyl][(thiophen-2-yl)methyl]amine,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.226g/mol |
| Monoisotopic Mass | 295.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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