Molecule ID: 446476

IUPAC Name: [(1R,2R,3S,4S)-2-amino-3-phenyl-2-bicyclo[2.2.1]heptanyl]-phenylmethanone

Description: The molecule is an aromatic ketone that is norbornane with 2-endo-amino, 2-exo-benzoyl and 3-exo-phenyl substituents. It has a role as an epitope. It is a primary amino compound and an aromatic ketone. It derives from a hydride of a norbornane.

SMILES: N[C@]1(C(=O)c2ccccc2)[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1

SELFIES: [N][C@][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 43.1 Ų
- LogP: 3.6