| CAS Number | 1157105-87-7 |
| Catalog Number | AG01BG01 |
| Chemical Name | [1-(4-fluorophenyl)-2-methylpropyl](methyl)amine |
| IUPAC Name | 1-(4-fluorophenyl)-N,2-dimethylpropan-1-amine |
| InChI | InChI=1S/C11H16FN/c1-8(2)11(13-3)9-4-6-10(12)7-5-9/h4-8,11,13H,1-3H3 |
| InChI Key | WKCRJNJONNNPMZ-UHFFFAOYSA-N |
| MDL Number | MFCD12179559 |
| Molecular Formula | C11H16FN |
| Molecular Weight | 181.2498 |
| SMILES | CNC(C1=CC=C(F)C=C1)C(C)C |
| Synonyms | [1-(4-fluorophenyl)-2-methylpropyl](methyl)amine,
1157105-87-7,
SCHEMBL13075238,
AKOS009083222,
NE43881,
Z164181938,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.254g/mol |
| Monoisotopic Mass | 181.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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