Home Halogens [(3-chloro-4-fluorophenyl)methyl](2-methylpropyl)amine

[(3-chloro-4-fluorophenyl)methyl](2-methylpropyl)amine

CAS No.:
1250029-96-9
Catalog Number:
AG01B11X
Molecular Formula:
C11H15ClFN
Molecular Weight:
215.6949
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Product Description
Catalog Number:
AG01B11X
Chemical Name:
[(3-chloro-4-fluorophenyl)methyl](2-methylpropyl)amine
CAS Number:
1250029-96-9
Molecular Formula:
C11H15ClFN
Molecular Weight:
215.6949
MDL Number:
MFCD16786903
IUPAC Name:
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropan-1-amine
InChI:
InChI=1S/C11H15ClFN/c1-8(2)6-14-7-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3
InChI Key:
RXEBMVYOULIMHC-UHFFFAOYSA-N
SMILES:
CC(CNCc1ccc(c(c1)Cl)F)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.088g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.696g/mol
Monoisotopic Mass:
215.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties