| CAS Number | 1179638-93-7 |
| Catalog Number | AG01A9SI |
| Chemical Name | 2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine |
| IUPAC Name | 2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine |
| InChI | InChI=1S/C11H14F3N/c1-10(2,7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6H,7,15H2,1-2H3 |
| InChI Key | PPHOQALIUKTFGB-UHFFFAOYSA-N |
| MDL Number | MFCD12816642 |
| Molecular Formula | C11H14F3N |
| Molecular Weight | 217.2308 |
| SMILES | CC(C1=CC(C(F)(F)F)=CC=C1)(CN)C |
| Synonyms | 2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine,
1179638-93-7,
2-Methyl-2-(3-(trifluoromethyl)phenyl)propan-1-amine,
AC1Q1NL3,
SCHEMBL8227760,
ZINC37934521,
AKOS008143946,
MCULE-1857764892,
NE15574,
AJ-94408,
EN300-66012,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.235g/mol |
| Monoisotopic Mass | 217.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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