| CAS Number | 1152574-77-0 |
| Catalog Number | AG01A9IR |
| Chemical Name | [4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]methanamine |
| IUPAC Name | [4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C11H14F3NO/c1-7(2)16-9-4-3-8(6-15)10(5-9)11(12,13)14/h3-5,7H,6,15H2,1-2H3 |
| InChI Key | VCQQCFNUCGTGIP-UHFFFAOYSA-N |
| MDL Number | MFCD11102757 |
| Molecular Formula | C11H14F3NO |
| Molecular Weight | 233.2302 |
| SMILES | CC(OC1=CC(C(F)(F)F)=C(CN)C=C1)C |
| Synonyms | [4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]methanamine,
1152574-77-0,
AC1Q1QMX,
CHEMBL3455814,
ZINC34960795,
AKOS009303712,
MCULE-5793485512,
NE14902,
EN300-65216,
Z1222331564,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.234g/mol |
| Monoisotopic Mass | 233.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number