3,5-bis(trifluoromethyl)benzaldehyde; 2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3,4-dimethoxyphenyl)ethanamine CAS Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: 3,5-bis(trifluoromethyl)benzaldehyde; homoveratrylamine Formula: C19H19F6NO3 MolecularWeight: 423.349479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN)OC.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

Isomeric SMILES

COC1=C(C=C(C=C1)CCN)OC.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

InChI

InChI=1S/C10H15NO2.C9H4F6O/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h3-4,7H,5-6,11H2,1-2H3;1-4H