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133344-77-1 | Benzeneethanamine, N-[(4-bromophenyl)methyl]-3,4-dimethoxy-
CAS No: 133344-77-1 Catalog No: AG0014PT MDL No:MFCD01135816
Product Description
Catalog Number:
AG0014PT
Chemical Name:
Benzeneethanamine, N-[(4-bromophenyl)methyl]-3,4-dimethoxy-
CAS Number:
133344-77-1
Molecular Formula:
C17H20BrNO2
Molecular Weight:
350.2502
MDL Number:
MFCD01135816
IUPAC Name:
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
InChI:
InChI=1S/C17H20BrNO2/c1-20-16-8-5-13(11-17(16)21-2)9-10-19-12-14-3-6-15(18)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3
InChI Key:
CRDBMSQADFKTKZ-UHFFFAOYSA-N
SMILES:
COc1cc(CCNCc2ccc(cc2)Br)ccc1OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.256g/mol
Monoisotopic Mass:
349.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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