DDJ

3,3'-dimethoxybiphenyl-4,4'-diamine

Created:	2011-12-12
Last modified:	2020-06-05

Find Related PDB Entry
1 entries where DDJ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of DDJ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3,3'-dimethoxybiphenyl-4,4'-diamine
Synonyms	o-Dianisidine
Systematic Name (OpenEye OEToolkits)	4-(4-azanyl-3-methoxy-phenyl)-2-methoxy-aniline
Formula	C₁₄ H₁₆ N₂ O₂
Molecular Weight	244.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1cc(ccc1N)c2ccc(N)c(OC)c2)C
SMILES	CACTVS	3.370	COc1cc(ccc1N)c2ccc(N)c(OC)c2
SMILES	OpenEye OEToolkits	1.7.6	COc1cc(ccc1N)c2ccc(c(c2)OC)N
Canonical SMILES	CACTVS	3.370	COc1cc(ccc1N)c2ccc(N)c(OC)c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cc(ccc1N)c2ccc(c(c2)OC)N
InChI	InChI	1.03	InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
InChIKey	InChI	1.03	JRBJSXQPQWSCCF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8411
ChEMBL	CHEMBL398363
ChEBI	CHEBI:82321
CCDC/CSD	KUPZUT

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.