Home Halogens {[3-bromo-2-(oxolan-2-ylmethoxy)phenyl]methyl}(methyl)amine

{[3-bromo-2-(oxolan-2-ylmethoxy)phenyl]methyl}(methyl)amine

CAS No.:
1291714-64-1
Catalog Number:
AG01B1BL
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
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Product Description
Catalog Number:
AG01B1BL
Chemical Name:
{[3-bromo-2-(oxolan-2-ylmethoxy)phenyl]methyl}(methyl)amine
CAS Number:
1291714-64-1
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD13479381
IUPAC Name:
1-[3-bromo-2-(oxolan-2-ylmethoxy)phenyl]-N-methylmethanamine
InChI:
InChI=1S/C13H18BrNO2/c1-15-8-10-4-2-6-12(14)13(10)17-9-11-5-3-7-16-11/h2,4,6,11,15H,3,5,7-9H2,1H3
InChI Key:
SDUGUUNNOHJYHX-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1OCC1CCCO1)Br
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties