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

Systemtic Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3-methoxyphenyl)ethanamine Openeye Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3-methoxyphenyl)ethanamine CAS Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3-methoxyphenyl)ethanamine IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3-methoxyphenyl)ethanamine Traditional Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-(3-methoxyphenyl)ethylamine Formula: C18H17F6NO2 MolecularWeight: 393.323499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4F6O.C9H13NO/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15;1-11-9-4-2-3-8(7-9)5-6-10/h1-4H;2-4,7H,5-6,10H2,1H3