2-[ethyl(methyl)amino]-4-methylbenzoic acid

C11H15NO2 — CID 62703009

IUPAC2-[ethyl(methyl)amino]-4-methylbenzoic acid
SMILESCCN(C)c1cc(C)ccc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-4-12(3)10-7-8(2)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyVCTKFNQMZRSJQM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.15
Rot. Bonds3

About 2-[ethyl(methyl)amino]-4-methylbenzoic acid

2-[ethyl(methyl)amino]-4-methylbenzoic acid (PubChem CID 62703009) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-4-methylbenzoic acid
PubChem CID62703009
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[ethyl(methyl)amino]-4-methylbenzoic acid
SMILESCCN(C)c1cc(C)ccc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-4-12(3)10-7-8(2)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyVCTKFNQMZRSJQM-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl(methyl)amino]-4-methylbenzoic 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

2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 62701484
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 55107941
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
2-ethyl-4-methylbenzoic acid
CID 19886963
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-4-methylbenzoic acid?
The IUPAC name of 2-[ethyl(methyl)amino]-4-methylbenzoic acid (CID 62703009) is 2-[ethyl(methyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]-4-methylbenzoic acid is CCN(C)c1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-[ethyl(methyl)amino]-4-methylbenzoic acid?
The InChIKey is VCTKFNQMZRSJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-12(3)10-7-8(2)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[ethyl(methyl)amino]-4-methylbenzoic acid?
2-[ethyl(methyl)amino]-4-methylbenzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 62703009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).