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198633-91-9 | 1-Isoquinolinamine, 3-(2-fluorophenyl)-3,4-dihydro-
CAS No: 198633-91-9 Catalog No: AG002BO2 MDL No:
Product Description
Catalog Number:
AG002BO2
Chemical Name:
1-Isoquinolinamine, 3-(2-fluorophenyl)-3,4-dihydro-
CAS Number:
198633-91-9
Molecular Formula:
C15H13FN2
Molecular Weight:
240.2755
IUPAC Name:
3-(2-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
InChI:
InChI=1S/C15H13FN2/c16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(17)18-14/h1-8,14H,9H2,(H2,17,18)
InChI Key:
XVFZTEAZCMAZMP-UHFFFAOYSA-N
SMILES:
Fc1ccccc1C1Cc2ccccc2C(=N1)N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.281g/mol
Monoisotopic Mass:
240.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 3,4-Dihydro-1-isoquinolinamines: a novel class of nitric oxide synthase inhibitors with a range of isoform selectivity and potency. | Bioorganic & medicinal chemistry letters 20010423 |
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