CID9969246
(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropan-1-amine
Also Known As: J3.309.646A|(1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine|(|AS,1|A,3-exo,3|A,5|A)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-|A-phenyl-8-azabicyclo[3.2.1]octane-8-propanamine|(|AS,3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-|A-phenyl-8-azabicyclo[3.2.1]octane-8-propanamine|(1S)-3-{3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-phenylpropan-1-amine|(alphaS,3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-alpha-phenyl-8-azabicyclo[3.2.1]octane-8-propanamine|(S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazole-4-yl)-8-azabicyclo[3.2.1]octane-8-yl]-1-phenyl-1-propaneamine
| Molecular Formula | C22H33N5 |
|---|---|
| Molecular Weight | 367.2736 g/mol |
| LogP | 3.96792 |
| Topological Polar Surface Area | 59.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.2736 |
| Monoisotopic Mass | 367.2736 |
| Heavy Atoms | 27 |
| Complexity | 739.31854 |
Chemical Identifiers
| CAS Number | 376348-71-9 |
|---|---|
| SMILES | CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)N)C(C)C |
Product Overview
CID9969246 (CAS 376348-71-9), with molecular formula C22H33N5 and molecular weight 367.2736 g/mol. IUPAC: (1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropan-1-amine.