2,6-dimethyl-3,5-bis(methylamino)benzoic acid

C11H16N2O2 — CID 87451641

IUPAC2,6-dimethyl-3,5-bis(methylamino)benzoic acid
SMILESCNc1cc(NC)c(C)c(C(=O)O)c1C
InChIInChI=1S/C11H16N2O2/c1-6-8(12-3)5-9(13-4)7(2)10(6)11(14)15/h5,12-13H,1-4H3,(H,14,15)
InChIKeyZGTTXTRYNQHULQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.09
Rot. Bonds3

About 2,6-dimethyl-3,5-bis(methylamino)benzoic acid

2,6-dimethyl-3,5-bis(methylamino)benzoic acid (PubChem CID 87451641) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,6-dimethyl-3,5-bis(methylamino)benzoic acid.

Molecular Properties

Compound Name2,6-dimethyl-3,5-bis(methylamino)benzoic acid
PubChem CID87451641
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,6-dimethyl-3,5-bis(methylamino)benzoic acid
SMILESCNc1cc(NC)c(C)c(C(=O)O)c1C
InChIInChI=1S/C11H16N2O2/c1-6-8(12-3)5-9(13-4)7(2)10(6)11(14)15/h5,12-13H,1-4H3,(H,14,15)
InChIKeyZGTTXTRYNQHULQ-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-6-phenylbenzoic acid
CID 69191389
2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772
4-bromo-2-fluoro-6-(methylamino)benzoic acid
CID 90040369
2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid
CID 29039
2-bromo-6-(methylamino)benzoic acid
CID 114887837
5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 19963527
2-methyl-4,6-bis(sulfanyl)benzene-1,3-dicarboxylic acid
CID 150654295
2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid
CID 175273453
5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 22301249
N,2,3,4-tetramethyl-5-prop-1-en-2-ylaniline
CID 166975853
2,6-dimethyl-3,5-dinitrobenzoic acid
CID 5224379
4,6-dihydroxy-2,3-dimethylbenzoic acid
CID 71365885

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,5-bis(methylamino)benzoic acid?
The IUPAC name of 2,6-dimethyl-3,5-bis(methylamino)benzoic acid (CID 87451641) is 2,6-dimethyl-3,5-bis(methylamino)benzoic acid.
What is the SMILES notation for 2,6-dimethyl-3,5-bis(methylamino)benzoic acid?
The canonical SMILES for 2,6-dimethyl-3,5-bis(methylamino)benzoic acid is CNc1cc(NC)c(C)c(C(=O)O)c1C.
What is the InChIKey of 2,6-dimethyl-3,5-bis(methylamino)benzoic acid?
The InChIKey is ZGTTXTRYNQHULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-8(12-3)5-9(13-4)7(2)10(6)11(14)15/h5,12-13H,1-4H3,(H,14,15).
What are the key properties of 2,6-dimethyl-3,5-bis(methylamino)benzoic acid?
2,6-dimethyl-3,5-bis(methylamino)benzoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,5-bis(methylamino)benzoic acid is sourced from PubChem (CID 87451641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).