1-adamantyl-[3,4-bis(fluoranyl)phenyl]methanamine

Systemtic Name: 1-adamantyl-[3,4-bis(fluoranyl)phenyl]methanamine Openeye Name: 1-adamantyl-(3,4-difluorophenyl)methanamine CAS Name: 1-adamantyl-(3,4-difluorophenyl)methanamine IUPAC Name: 1-adamantyl-(3,4-difluorophenyl)methanamine Traditional Name: [1-adamantyl-(3,4-difluorophenyl)methyl]amine Formula: C17H21F2N MolecularWeight: 277.352146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C4=CC(=C(C=C4)F)F)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C4=CC(=C(C=C4)F)F)N

InChI

InChI=1S/C17H21F2N/c18-14-2-1-13(6-15(14)19)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,16H,3-5,7-9,20H2