N1-[2-[Boc(methyl)amino]ethyl]-5-fluoro-N1-methyl-1,2-benzenediamine - CAS 2097165-02-9
Catalog: |
BB016473 |
Product Name: |
N1-[2-[Boc(methyl)amino]ethyl]-5-fluoro-N1-methyl-1,2-benzenediamine |
CAS: |
2097165-02-9 |
Synonyms: |
N-[2-(2-amino-5-fluoro-N-methylanilino)ethyl]-N-methylcarbamic acid tert-butyl ester; tert-butyl N-[2-(2-amino-5-fluoro-N-methylanilino)ethyl]-N-methylcarbamate |
IUPAC Name: | tert-butyl N-[2-(2-amino-5-fluoro-N-methylanilino)ethyl]-N-methylcarbamate |
Description: | N1-[2-[Boc(methyl)amino]ethyl]-5-fluoro-N1-methyl-1,2-benzenediamine (CAS# 2097165-02-9 ) is a useful research chemical. |
Molecular Weight: | 297.37 |
Molecular Formula: | C15H24FN3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CCN(C)C1=C(C=CC(=C1)F)N |
InChI: | InChI=1S/C15H24FN3O2/c1-15(2,3)21-14(20)19(5)9-8-18(4)13-10-11(16)6-7-12(13)17/h6-7,10H,8-9,17H2,1-5H3 |
InChI Key: | DOXLUYAIABUIRI-UHFFFAOYSA-N |
LogP: | 3.29220 |
Publication Number | Title | Priority Date |
US-10227338-B2 | Substituted benzenesulfonamides as sodium channel blockers | 20151113 |
US-2018346459-A1 | Sodium channel blocker | 20151113 |
WO-2017082688-A1 | Sodium channel blocker | 20151113 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.18525518 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.18525518 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Amines and Anilines
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