Home Halogens [2-amino-1-(4-chlorophenyl)ethyl](methyl)(3,3,3-trifluoropropyl)amine

[2-amino-1-(4-chlorophenyl)ethyl](methyl)(3,3,3-trifluoropropyl)amine

CAS No.:
1466767-16-7
Catalog Number:
AG01B9MF
Molecular Formula:
C12H16ClF3N2
Molecular Weight:
280.7170
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Product Description
Catalog Number:
AG01B9MF
Chemical Name:
[2-amino-1-(4-chlorophenyl)ethyl](methyl)(3,3,3-trifluoropropyl)amine
CAS Number:
1466767-16-7
Molecular Formula:
C12H16ClF3N2
Molecular Weight:
280.7170
MDL Number:
MFCD21023737
IUPAC Name:
1-(4-chlorophenyl)-N-methyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
InChI:
InChI=1S/C12H16ClF3N2/c1-18(7-6-12(14,15)16)11(8-17)9-2-4-10(13)5-3-9/h2-5,11H,6-8,17H2,1H3
InChI Key:
IREOTOGWSYTZAH-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Cl)N(CCC(F)(F)F)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.719g/mol
Monoisotopic Mass:
280.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties