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35690-53-0 | 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)methyl]-4-methylaniline
CAS No: 35690-53-0 Catalog No: AG0079UX MDL No:
Product Description
Catalog Number:
AG0079UX
Chemical Name:
2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)methyl]-4-methylaniline
CAS Number:
35690-53-0
Molecular Formula:
C19H24N2O2
Molecular Weight:
312.4061
IUPAC Name:
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methylaniline
InChI:
InChI=1S/C19H24N2O2/c1-13-4-5-17(20)16(8-13)12-21-7-6-14-9-18(22-2)19(23-3)10-15(14)11-21/h4-5,8-10H,6-7,11-12,20H2,1-3H3
InChI Key:
FLCIKOUZKLRUHG-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)Cc1cc(C)ccc1N
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.413g/mol
Monoisotopic Mass:
312.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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