Home Other Building Blocks N-{[4-(difluoromethoxy)-3-methoxyphenyl]methyl}cyclopropanamine

N-{[4-(difluoromethoxy)-3-methoxyphenyl]methyl}cyclopropanamine

CAS No.:
900641-13-6
Catalog Number:
AG019NEF
Molecular Formula:
C12H15F2NO2
Molecular Weight:
243.2498
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Product Description
Catalog Number:
AG019NEF
Chemical Name:
N-{[4-(difluoromethoxy)-3-methoxyphenyl]methyl}cyclopropanamine
CAS Number:
900641-13-6
Molecular Formula:
C12H15F2NO2
Molecular Weight:
243.2498
MDL Number:
MFCD07366407
IUPAC Name:
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
InChI:
InChI=1S/C12H15F2NO2/c1-16-11-6-8(7-15-9-3-4-9)2-5-10(11)17-12(13)14/h2,5-6,9,12,15H,3-4,7H2,1H3
InChI Key:
RXNPPMUNGJVORF-UHFFFAOYSA-N
SMILES:
COc1cc(CNC2CC2)ccc1OC(F)F
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.107g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.254g/mol
Monoisotopic Mass:
243.107g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties