7-ethyl-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chromene; 2-phenylethanamine; hydrochloride

Systemtic Name: 7-ethyl-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chromene; 2-phenylethanamine; hydrochloride Openeye Name: 7-ethyl-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chromene; 2-phenylethanamine; hydrochloride CAS Name: 7-ethyl-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-1-benzopyran; 2-phenylethanamine; hydrochloride IUPAC Name: 7-ethyl-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chromene; 2-phenylethanamine; hydrochloride Traditional Name: 7-ethyl-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chromene; phenethylamine; hydrochloride Formula: C28H31ClF3NO MolecularWeight: 490.00005

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(O2)(C)C)C3=CC(=CC=C3)C(F)(F)F.C1=CC=C(C=C1)CCN.Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(O2)(C)C)C3=CC(=CC=C3)C(F)(F)F.C1=CC=C(C=C1)CCN.Cl

InChI

InChI=1S/C20H19F3O.C8H11N.ClH/c1-4-13-8-9-16-17(12-19(2,3)24-18(16)10-13)14-6-5-7-15(11-14)20(21,22)23;9-7-6-8-4-2-1-3-5-8;/h5-12H,4H2,1-3H3;1-5H,6-7,9H2;1H