2-(2,6-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethylamine - CAS 1305320-62-0
Catalog: |
BB007124 |
Product Name: |
2-(2,6-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethylamine |
CAS: |
1305320-62-0 |
Synonyms: |
2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethanamine; 2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethanamine |
IUPAC Name: | 2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethanamine |
Description: | Used in the synthesis of novel triazole compounds showing antitubercular activity. |
Molecular Weight: | 365.08 |
Molecular Formula: | C15H13Cl4NO |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)COC(CN)C2=C(C=C(C=C2)Cl)Cl)Cl |
InChI: | InChI=1S/C15H13Cl4NO/c16-9-4-5-10(14(19)6-9)15(7-20)21-8-11-12(17)2-1-3-13(11)18/h1-6,15H,7-8,20H2 |
InChI Key: | YEFWMFSHHWNWBA-UHFFFAOYSA-N |
Purity: | > 95 % |
LogP: | 6.21710 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 364.972175 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.975125 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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