N-Trifluoroacetyl-4-benzyloxy-3-methoxyphenethylamine - CAS 1076199-49-9
Catalog: |
BB057264 |
Product Name: |
N-Trifluoroacetyl-4-benzyloxy-3-methoxyphenethylamine |
CAS: |
1076199-49-9 |
Synonyms: |
N-(4-Benzyloxy-3-methoxyphenethyl)-2,2,2-trifluoroacetamide; 2,2,2-Trifluoro-N-[2-[3-methoxy-4-(phenylmethoxy)phenyl]ethyl]acetamide |
IUPAC Name: | 2,2,2-trifluoro-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]acetamide |
Description: | N-Trifluoroacetyl-4-benzyloxy-3-methoxyphenethylamine (cas# 1076199-49-9) is a compound useful in organic synthesis. |
Molecular Weight: | 353.34 |
Molecular Formula: | C18H18F3NO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)CCNC(=O)C(F)(F)F)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H18F3NO3/c1-24-16-11-13(9-10-22-17(23)18(19,20)21)7-8-15(16)25-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,23) |
InChI Key: | DXTHXWRGUMQVJB-UHFFFAOYSA-N |
Solubility: | Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Off-White Solid |
Storage: | Refrigerator |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 353.12387792 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 353.12387792 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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