2-Methoxy-1-[4-(trifluoromethoxy)phenyl]ethylamine - CAS 1042807-67-9
Catalog: |
BB001370 |
Product Name: |
2-Methoxy-1-[4-(trifluoromethoxy)phenyl]ethylamine |
CAS: |
1042807-67-9 |
Synonyms: |
2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethanamine; 2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethanamine |
IUPAC Name: | 2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethanamine |
Description: | 2-Methoxy-1-[4-(trifluoromethoxy)phenyl]ethylamine (CAS# 1042807-67-9 ) is a useful research chemical. |
Molecular Weight: | 235.20 |
Molecular Formula: | C10H12F3NO2 |
Canonical SMILES: | COCC(C1=CC=C(C=C1)OC(F)(F)F)N |
InChI: | InChI=1S/C10H12F3NO2/c1-15-6-9(14)7-2-4-8(5-3-7)16-10(11,12)13/h2-5,9H,6,14H2,1H3 |
InChI Key: | WLMBKVSXSGKGKY-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3026051-A1 | Heterocyclic compound | 20130724 |
JP-WO2015012328-A1 | Heterocyclic compounds | 20130724 |
US-2016159808-A1 | Heterocyclic compound | 20130724 |
WO-2015012328-A1 | Heterocyclic compound | 20130724 |
TW-201427979-A | Nitrogen-containing heterocyclic compound | 20121226 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.08201311 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.08201311 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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