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114688-61-8 | 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]aniline
CAS No: 114688-61-8 Catalog No: AG019Y36 MDL No:MFCD00874309
Product Description
Catalog Number:
AG019Y36
Chemical Name:
2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]aniline
CAS Number:
114688-61-8
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
MDL Number:
MFCD00874309
IUPAC Name:
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
InChI:
InChI=1S/C18H22N2O2/c1-21-17-9-13-7-8-20(12-15(13)10-18(17)22-2)11-14-5-3-4-6-16(14)19/h3-6,9-10H,7-8,11-12,19H2,1-2H3
InChI Key:
OPWKKFLSNMZGEV-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)Cc1ccccc1N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.386g/mol
Monoisotopic Mass:
298.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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