5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid

C14H21NO2 — CID 62514826

IUPAC5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
SMILESCc1ccc(N(C)C(C)C(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H21NO2/c1-9(2)11(4)15(5)13-7-6-10(3)8-12(13)14(16)17/h6-9,11H,1-5H3,(H,16,17)
InChIKeyOGQJQDFSBVVIOA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.17
Rot. Bonds4

About 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid

5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid (PubChem CID 62514826) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
PubChem CID62514826
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
SMILESCc1ccc(N(C)C(C)C(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H21NO2/c1-9(2)11(4)15(5)13-7-6-10(3)8-12(13)14(16)17/h6-9,11H,1-5H3,(H,16,17)
InChIKeyOGQJQDFSBVVIOA-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzoic acid
CID 62984177
ethane;5-methyl-2-[methyl(methylsulfinyl)amino]benzoic acid
CID 166075270
5-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 63537680
2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid
CID 62514138
2-[2-hydroxyethyl(propan-2-yl)amino]-5-methylbenzoic acid
CID 62514314
2-[2,2-dimethylpropyl(methyl)amino]-5-methylbenzoic acid
CID 62516741
5-bromo-2-[methyl(propan-2-yl)amino]benzoic acid
CID 114895602
5-methyl-2-[methyl(pentyl)amino]benzoic acid
CID 62514125
5-methyl-2-[methyl-[(Z)-(methylideneamino)methylideneamino]amino]benzoic acid
CID 129025684
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid (CID 62514826) is 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid is Cc1ccc(N(C)C(C)C(C)C)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid?
The InChIKey is OGQJQDFSBVVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)11(4)15(5)13-7-6-10(3)8-12(13)14(16)17/h6-9,11H,1-5H3,(H,16,17).
What are the key properties of 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid?
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid is sourced from PubChem (CID 62514826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).