2,4-dimethyl-3-(methylamino)benzoic acid

C10H13NO2 — CID 144869616

IUPAC2,4-dimethyl-3-(methylamino)benzoic acid
SMILESCNc1c(C)ccc(C(=O)O)c1C
InChIInChI=1S/C10H13NO2/c1-6-4-5-8(10(12)13)7(2)9(6)11-3/h4-5,11H,1-3H3,(H,12,13)
InChIKeyAJKAAGRCBYZXNO-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.04
Rot. Bonds2

About 2,4-dimethyl-3-(methylamino)benzoic acid

2,4-dimethyl-3-(methylamino)benzoic acid (PubChem CID 144869616) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,4-dimethyl-3-(methylamino)benzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-3-(methylamino)benzoic acid
PubChem CID144869616
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2,4-dimethyl-3-(methylamino)benzoic acid
SMILESCNc1c(C)ccc(C(=O)O)c1C
InChIInChI=1S/C10H13NO2/c1-6-4-5-8(10(12)13)7(2)9(6)11-3/h4-5,11H,1-3H3,(H,12,13)
InChIKeyAJKAAGRCBYZXNO-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(methylamino)benzoic acid?
The IUPAC name of 2,4-dimethyl-3-(methylamino)benzoic acid (CID 144869616) is 2,4-dimethyl-3-(methylamino)benzoic acid.
What is the SMILES notation for 2,4-dimethyl-3-(methylamino)benzoic acid?
The canonical SMILES for 2,4-dimethyl-3-(methylamino)benzoic acid is CNc1c(C)ccc(C(=O)O)c1C.
What is the InChIKey of 2,4-dimethyl-3-(methylamino)benzoic acid?
The InChIKey is AJKAAGRCBYZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-4-5-8(10(12)13)7(2)9(6)11-3/h4-5,11H,1-3H3,(H,12,13).
What are the key properties of 2,4-dimethyl-3-(methylamino)benzoic acid?
2,4-dimethyl-3-(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 2,4-dimethyl-3-(methylamino)benzoic acid is sourced from PubChem (CID 144869616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).