| CAS Number | 1020951-24-9 |
| Catalog Number | AG019LTO |
| Chemical Name | [2-(4-fluorophenyl)ethyl](2-methylpropyl)amine |
| IUPAC Name | N-[2-(4-fluorophenyl)ethyl]-2-methylpropan-1-amine |
| InChI | InChI=1S/C12H18FN/c1-10(2)9-14-8-7-11-3-5-12(13)6-4-11/h3-6,10,14H,7-9H2,1-2H3 |
| InChI Key | KJIGKKNHRXPSJR-UHFFFAOYSA-N |
| MDL Number | MFCD11141716 |
| Molecular Formula | C12H18FN |
| Molecular Weight | 195.2764 |
| SMILES | CC(CNCCC1=CC=C(F)C=C1)C |
| Synonyms | [2-(4-fluorophenyl)ethyl](2-methylpropyl)amine,
1020951-24-9,
ZINC19904035,
AKOS000231021,
EN300-32706,
Z90518529,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.281g/mol |
| Monoisotopic Mass | 195.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number