2-(2-methyl-3-octadecyl-phenyl)propan-2-amine

Systemtic Name: 2-(2-methyl-3-octadecyl-phenyl)propan-2-amine Openeye Name: 2-(2-methyl-3-octadecyl-phenyl)propan-2-amine CAS Name: 2-(2-methyl-3-octadecylphenyl)-2-propanamine IUPAC Name: 2-(2-methyl-3-octadecylphenyl)propan-2-amine Traditional Name: [1-methyl-1-(2-methyl-3-stearyl-phenyl)ethyl]amine Formula: C28H51N MolecularWeight: 401.71124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)N)C

InChI

InChI=1S/C28H51N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-24-27(25(26)2)28(3,4)29/h21,23-24H,5-20,22,29H2,1-4H3