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99087-42-0 | 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 99087-42-0 Catalog No: AG01DE9X MDL No:MFCD00728621
Product Description
Catalog Number:
AG01DE9X
Chemical Name:
2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
99087-42-0
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
MDL Number:
MFCD00728621
IUPAC Name:
2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C16H17N/c1-17-11-14-9-5-6-10-15(14)16(12-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChI Key:
NNVATDBGKYTMIL-UHFFFAOYSA-N
SMILES:
CN1Cc2ccccc2C(C1)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors. | Bioorganic & medicinal chemistry letters 20121201 |
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