N-Boc-2-(3-bromophenoxy)ethylamine - CAS 1098107-26-6
Catalog: |
BB002544 |
Product Name: |
N-Boc-2-(3-bromophenoxy)ethylamine |
CAS: |
1098107-26-6 |
Synonyms: |
N-[2-(3-bromophenoxy)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(3-bromophenoxy)ethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(3-bromophenoxy)ethyl]carbamate |
Description: | N-Boc-2-(3-bromophenoxy)ethylamine (CAS# 1098107-26-6 ) is a useful research chemical. |
Molecular Weight: | 316.19 |
Molecular Formula: | C13H18BrNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCOC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(16)15-7-8-17-11-6-4-5-10(14)9-11/h4-6,9H,7-8H2,1-3H3,(H,15,16) |
InChI Key: | HAGWBZUWMYGUKW-UHFFFAOYSA-N |
LogP: | 3.74350 |
Publication Number | Title | Priority Date |
TW-202003525-A | New heterocyclic compounds | 20180322 |
WO-2019180185-A1 | Oxazine monoacylglycerol lipase (magl) inhibitors | 20180322 |
AU-2019238381-A1 | Oxazine monoacylglycerol lipase (MAGL) inhibitors | 20180322 |
CN-111936503-A | Oxazin monoacylglycerol lipase (MAGL) inhibitors | 20180322 |
BR-112020014992-A2 | OXAZINE INHIBITORS MONOACYLGLYCEROL LIPASE (MAGL) | 20180322 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.04701 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.04701 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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