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82925-02-8 | 4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H);-yl);ethyl);aniline
CAS No: 82925-02-8 Catalog No: AG003JYF MDL No:MFCD04974539
Product Description
Catalog Number:
AG003JYF
Chemical Name:
4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H);-yl);ethyl);aniline
CAS Number:
82925-02-8
Molecular Formula:
C19H24N2O2
Molecular Weight:
312.4061
MDL Number:
MFCD04974539
IUPAC Name:
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
InChI:
InChI=1S/C19H24N2O2/c1-22-18-11-15-8-10-21(13-16(15)12-19(18)23-2)9-7-14-3-5-17(20)6-4-14/h3-6,11-12H,7-10,13,20H2,1-2H3
InChI Key:
DGOOLMGPMIHRFY-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc3ccc(cc3)N)CCc2cc1OC
Properties
Complexity:
357
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:
5
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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