5-(4-thiophen-3-ylphenyl)hexan-2-amine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-(4-thiophen-3-ylphenyl)hexan-2-amine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-[4-(3-thienyl)phenyl]hexan-2-amine; 2,2,2-trifluoroacetic acid CAS Name: 5-[4-(3-thiophenyl)phenyl]-2-hexanamine; 2,2,2-trifluoroacetic acid IUPAC Name: 5-(4-thiophen-3-ylphenyl)hexan-2-amine; 2,2,2-trifluoroacetic acid Traditional Name: [1-methyl-4-[4-(3-thienyl)phenyl]pentyl]amine; 2,2,2-trifluoroacetic acid Formula: C18H22F3NO2S MolecularWeight: 373.43299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)N)C1=CC=C(C=C1)C2=CSC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(CCC(C)N)C1=CC=C(C=C1)C2=CSC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H21NS.C2HF3O2/c1-12(3-4-13(2)17)14-5-7-15(8-6-14)16-9-10-18-11-16;3-2(4,5)1(6)7/h5-13H,3-4,17H2,1-2H3;(H,6,7)