Home Other Building Blocks 1-(5-Fluoro-2-phenoxyphenyl)-N-methylmethanamine

1-(5-Fluoro-2-phenoxyphenyl)-N-methylmethanamine

CAS No.:
476310-75-5
Catalog Number:
AG003BY0
Molecular Formula:
C14H14FNO
Molecular Weight:
231.2655
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003BY0
Chemical Name:
1-(5-Fluoro-2-phenoxyphenyl)-N-methylmethanamine
CAS Number:
476310-75-5
Molecular Formula:
C14H14FNO
Molecular Weight:
231.2655
MDL Number:
MFCD08064241
IUPAC Name:
1-(5-fluoro-2-phenoxyphenyl)-N-methylmethanamine
InChI:
InChI=1S/C14H14FNO/c1-16-10-11-9-12(15)7-8-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChI Key:
JDHPXUQPTBDLHJ-UHFFFAOYSA-N
SMILES:
CNCc1cc(F)ccc1Oc1ccccc1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.27g/mol
Monoisotopic Mass:
231.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Quantitative structure-activity relationship of phenoxyphenyl-methanamine compounds with 5HT2A, SERT, and hERG activities. Bioorganic & medicinal chemistry letters 20081201
Properties