| CAS Number | 1021032-89-2 |
| Catalog Number | AG01A9J5 |
| Chemical Name | 2-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-AMINE |
| IUPAC Name | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine |
| InChI | InChI=1S/C11H14F3N/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14/h3-7,10H,15H2,1-2H3 |
| InChI Key | CXPBPAWRMVONLK-UHFFFAOYSA-N |
| MDL Number | MFCD11148421 |
| Molecular Formula | C11H14F3N |
| Molecular Weight | 217.2308 |
| SMILES | CC(C(C1=CC(C(F)(F)F)=CC=C1)N)C |
| Synonyms | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine,
1021032-89-2,
AC1Q1O38,
SCHEMBL15109750,
AKOS000244936,
AKOS016904347,
MCULE-8683519134,
NE23234,
EN300-65237,
(S)-2-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE,
|
| Complexity | 201 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number