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67596-84-3 | 1-[(4-methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CAS No: 67596-84-3 Catalog No: AG005M0L MDL No:
Product Description
Catalog Number:
AG005M0L
Chemical Name:
1-[(4-methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CAS Number:
67596-84-3
Molecular Formula:
C18H25NO
Molecular Weight:
271.3972
IUPAC Name:
(1R)-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
InChI:
InChI=1S/C18H25NO/c1-19-12-11-15-5-3-4-6-17(15)18(19)13-14-7-9-16(20-2)10-8-14/h7-10,18H,3-6,11-13H2,1-2H3/t18-/m1/s1
InChI Key:
CRXXSGLBECOUQH-GOSISDBHSA-N
SMILES:
COc1ccc(cc1)CC1N(C)CCC2=C1CCCC2
EC Number:
266-751-3
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.404g/mol
Monoisotopic Mass:
271.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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