3-Fluoro-4-(trifluoromethoxy)-alpha-(methoxymethyl)benzylamine Hydrochloride - CAS 1476730-29-6
Catalog: |
BB010224 |
Product Name: |
3-Fluoro-4-(trifluoromethoxy)-alpha-(methoxymethyl)benzylamine Hydrochloride |
CAS: |
1476730-29-6 |
Synonyms: |
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethanamine;hydrochloride; 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethanamine;hydrochloride |
IUPAC Name: | 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethanamine;hydrochloride |
Description: | 3-Fluoro-4-(trifluoromethoxy)-alpha-(methoxymethyl)benzylamine Hydrochloride (CAS# 1476730-29-6 ) is a useful research chemical. |
Molecular Weight: | 289.65 |
Molecular Formula: | C10H12ClF4NO2 |
Canonical SMILES: | COCC(C1=CC(=C(C=C1)OC(F)(F)F)F)N.Cl |
InChI: | InChI=1S/C10H11F4NO2.ClH/c1-16-5-8(15)6-2-3-9(7(11)4-6)17-10(12,13)14;/h2-4,8H,5,15H2,1H3;1H |
InChI Key: | XWNDALYBMBNWNU-UHFFFAOYSA-N |
LogP: | 3.87280 |
Publication Number | Title | Priority Date |
EP-3061754-A1 | Heterocyclic compound | 20131023 |
JP-WO2015060368-A1 | Heterocyclic compounds | 20131023 |
US-2016264536-A1 | Heterocyclic compound | 20131023 |
WO-2015060368-A1 | Heterocyclic compound | 20131023 |
EP-3026051-A1 | Heterocyclic compound | 20130724 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.049269 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.049269 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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