3-[(Boc-amino)methyl]-4-fluoroaniline - CAS 209899-48-9
Catalog: |
BB016517 |
Product Name: |
3-[(Boc-amino)methyl]-4-fluoroaniline |
CAS: |
209899-48-9 |
Synonyms: |
N-[(5-amino-2-fluorophenyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(5-amino-2-fluorophenyl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(5-amino-2-fluorophenyl)methyl]carbamate |
Description: | 3-[(Boc-amino)methyl]-4-fluoroaniline (CAS# 209899-48-9) is a useful research chemical. |
Molecular Weight: | 240.27 |
Molecular Formula: | C12H17FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)N)F |
InChI: | InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-7-8-6-9(14)4-5-10(8)13/h4-6H,7,14H2,1-3H3,(H,15,16) |
InChI Key: | YZEYXVMJBDHOQY-UHFFFAOYSA-N |
LogP: | 3.21820 |
Publication Number | Title | Priority Date |
US-2012015961-A1 | Isothiourea derivatives or isourea derivatives having bace1 inhibitory activity | 20090331 |
CA-2690619-A1 | Indazoles, benzisoxazoles and benzisothiazoles as inhibitors of protein kinases | 20070716 |
EP-2170834-A1 | Indazoles, benzisoxazoles and benzisothiazoles as inhibitors of protein kinases | 20070716 |
EP-2170834-B1 | Indazoles, benzisoxazoles and benzisothiazoles as inhibitors of protein kinases | 20070716 |
US-2009054430-A1 | Inhibitors of Protein Kinases | 20070716 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.12740595 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.12740595 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Amines and Anilines
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