Molecule ID: 58590448

IUPAC Name: 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

Description: The molecule is a member of the class of indanes that is 2,5-dimethylindane in which the hydrogen at position 3 has been replaced by one of the primary amino groups of 6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine. It is a member of indanes, a diamino-1,3,5-triazine, a secondary amino compound and an organofluorine compound.

SMILES: Cc1ccc2c(c1)C(N=c1[nH]c(C(C)F)nc(=N)[nH]1)C(C)C2

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

InChI: InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)

Molecular Properties:
- Polar Surface Area: 76.7 Ų
- LogP: 3.2