2,5-dimethyl-4-(methylamino)benzoic acid

C10H13NO2 — CID 153189772

IUPAC2,5-dimethyl-4-(methylamino)benzoic acid
SMILESCNc1cc(C)c(C(=O)O)cc1C
InChIInChI=1S/C10H13NO2/c1-6-5-9(11-3)7(2)4-8(6)10(12)13/h4-5,11H,1-3H3,(H,12,13)
InChIKeyWHUSKGRJNDFVDI-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.04
Rot. Bonds2

About 2,5-dimethyl-4-(methylamino)benzoic acid

2,5-dimethyl-4-(methylamino)benzoic acid (PubChem CID 153189772) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylamino)benzoic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylamino)benzoic acid
PubChem CID153189772
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2,5-dimethyl-4-(methylamino)benzoic acid
SMILESCNc1cc(C)c(C(=O)O)cc1C
InChIInChI=1S/C10H13NO2/c1-6-5-9(11-3)7(2)4-8(6)10(12)13/h4-5,11H,1-3H3,(H,12,13)
InChIKeyWHUSKGRJNDFVDI-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid
CID 122668430
CID 162313209
CID 162313209
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
4-bromo-2-(methylamino)benzoic acid
CID 13384102
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
4-(bromomethyl)-2,5-dimethylbenzoic acid
CID 165441298
5,12,17,18-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11-dicarboxylic acid
CID 163726690
5-iodo-2,4-dimethylbenzoic acid
CID 23091875
2,6-dimethyl-3,5-bis(methylamino)benzoic acid
CID 87451641

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylamino)benzoic acid?
The IUPAC name of 2,5-dimethyl-4-(methylamino)benzoic acid (CID 153189772) is 2,5-dimethyl-4-(methylamino)benzoic acid.
What is the SMILES notation for 2,5-dimethyl-4-(methylamino)benzoic acid?
The canonical SMILES for 2,5-dimethyl-4-(methylamino)benzoic acid is CNc1cc(C)c(C(=O)O)cc1C.
What is the InChIKey of 2,5-dimethyl-4-(methylamino)benzoic acid?
The InChIKey is WHUSKGRJNDFVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-5-9(11-3)7(2)4-8(6)10(12)13/h4-5,11H,1-3H3,(H,12,13).
What are the key properties of 2,5-dimethyl-4-(methylamino)benzoic acid?
2,5-dimethyl-4-(methylamino)benzoic acid has a molecular weight of 179.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylamino)benzoic acid is sourced from PubChem (CID 153189772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).