| CAS Number | 1153421-91-0 |
| Catalog Number | AG019WP1 |
| Chemical Name | N-((5-(4-(Trifluoromethyl)phenyl)furan-2-yl)methyl)ethanamine |
| IUPAC Name | N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine |
| InChI | InChI=1S/C14H14F3NO/c1-2-18-9-12-7-8-13(19-12)10-3-5-11(6-4-10)14(15,16)17/h3-8,18H,2,9H2,1H3 |
| InChI Key | AVOAUIXXFQOUQO-UHFFFAOYSA-N |
| MDL Number | MFCD12691269 |
| Molecular Formula | C14H14F3NO |
| Molecular Weight | 269.2623 |
| SMILES | CCNCC1OC(C2=CC=C(C(F)(F)F)C=C2)=CC=1 |
| Synonyms | ethyl({5-[4-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine,
1153421-91-0,
N-((5-(4-(Trifluoromethyl)phenyl)furan-2-yl)methyl)ethanamine,
AC1Q31LB,
CTK6F2378,
SBB084025,
ZINC36818905,
AKOS005217081,
MCULE-6997409359,
NE41249,
NCGC00339323-01,
EN300-52698,
AB01331945-02,
ethyl({5-[4-(trifluoromethyl)phenyl](2-furyl)}methyl)amine,
Ethyl-[5-(4-trifluoromethyl-phenyl)-furan-2-ylmethyl]-amine,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.267g/mol |
| Monoisotopic Mass | 269.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number