[3H]-di-o-tolylguanidine   

GtoPdb Ligand ID: 6685

Synonyms: [3H]DOTG
   
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 50.41
Molecular weight 239.14
XLogP 3.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=Nc1ccccc1C)Nc1ccccc1C
Isomeric SMILES NC(=Nc1ccccc1C)Nc1ccccc1C
InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChI Key OPNUROKCUBTKLF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1,2-bis(2-methylphenyl)guanidine
Synonyms
[3H]DOTG
Database Links
ChEMBL Ligand CHEMBL282433
GtoPdb PubChem SID 178103297
PubChem CID 7333
Search Google for chemical match using the InChIKey OPNUROKCUBTKLF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OPNUROKCUBTKLF
Search UniChem for chemical match using the InChIKey OPNUROKCUBTKLF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OPNUROKCUBTKLF

Product suppliers

View disclaimer

Tocris
DTG
Cat. No. 0841