| CAS Number | 1250029-96-9 |
| Catalog Number | AG01B11X |
| Chemical Name | [(3-Chloro-4-fluorophenyl)methyl](2-methylpropyl)amine |
| IUPAC Name | N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropan-1-amine |
| InChI | InChI=1S/C11H15ClFN/c1-8(2)6-14-7-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3 |
| InChI Key | RXEBMVYOULIMHC-UHFFFAOYSA-N |
| MDL Number | MFCD16786903 |
| Molecular Formula | C11H15ClFN |
| Molecular Weight | 215.6949 |
| SMILES | CC(CNCC1=CC(Cl)=C(F)C=C1)C |
| Synonyms | [(3-chloro-4-fluorophenyl)methyl](2-methylpropyl)amine,
1250029-96-9,
ZINC53155421,
AKOS011827591,
BBV-34323557,
EN300-169743,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.696g/mol |
| Monoisotopic Mass | 215.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number