Molecule ID: 10947588

IUPAC Name: 2-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

Description: The molecule is a diamino-1,3,5-triazine that is 1,3,5-triazine substituted by a [1-(3,5-dimethylphenoxy)propan-2-yl]nitrilo group, amino group and 2-fluoropropan-2-yl group at positions 2,4 and 6, respectively. It is a diamino-1,3,5-triazine, an organofluorine compound, a secondary amino compound and an aromatic ether.

SMILES: Cc1cc(C)cc(OCC(C)N=c2[nH]c(C(C)(C)F)nc(=N)[nH]2)c1

SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][O][C][C][Branch1][C][C][N][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][F][=N][C][=Branch1][C][=N][NH1][Ring1][O][=C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: 3.5