| CAS Number | 955373-56-5 |
| Catalog Number | AG00IM6G(AGN-PC-0WOL3T) |
| Chemical Name | (E)-2,3,-Dehydro-Cinacalcet |
| IUPAC Name | (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine |
| InChI | InChI=1S/C22H20F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-13,15-16,26H,14H2,1H3/b8-6+/t16-/m1/s1 |
| InChI Key | WFYGIZJPNJFYOP-IQIBNGDESA-N |
| MDL Number | MFCD28386704 |
| Molecular Formula | C22H20F3N |
| Molecular Weight | 355.3961 |
| SMILES | C[C@@H](NCC=Cc1cccc(c1)C(F)(F)F)c2cccc3ccccc23 |
| Synonyms | 955373-56-5,
3-(3-(Trifluoromethl)phenyl-N-(R)-1-(naphthalen-1-yl)ethyl)prop-2-en-1-amine,
WFYGIZJPNJFYOP-IQIBNGDESA-N,
SCHEMBL1331214,
SCHEMBL1331216,
(E)-2,3,-Dehydro-cinacalcet,
ZINC115880045,
ACN-047998,
CS-15281,
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine,
(R,E)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)prop-2-en-1-amine,
1-Naphthalenemethanamine,alpha-methyl-N-[(2E)-3-[3-(trifluoromethyl)phenyl]-2-propen-1-yl]-,(alphaR)-,
1-Naphthalenemethanamine, alpha-methyl-N-[(2E)-3-[3-(trifluoromethyl)phenyl]-2-propen-1-yl]-, (alphaR)-,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 355.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.404g/mol |
| Monoisotopic Mass | 355.155g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
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