RBJ

4-[(methylamino)methyl]phenol

Created:	2020-02-10
Last modified:	2020-06-03

Find Related PDB Entry
4 entries where RBJ 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	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of RBJ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[(methylamino)methyl]phenol
Systematic Name (OpenEye OEToolkits)	4-(methylaminomethyl)phenol
Formula	C₈ H₁₁ N O
Molecular Weight	137.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1)CNC)O
SMILES	CACTVS	3.385	CNCc1ccc(O)cc1
SMILES	OpenEye OEToolkits	2.0.6	CNCc1ccc(cc1)O
Canonical SMILES	CACTVS	3.385	CNCc1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNCc1ccc(cc1)O
InChI	InChI	1.03	InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-5,9-10H,6H2,1H3
InChIKey	InChI	1.03	AMKMYXVFAOJGGQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13104924

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.