4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid

C13H19NO2 — CID 62701484

IUPAC4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)c(N(C)CC(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)8-14(4)12-7-10(3)5-6-11(12)13(15)16/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyZPEOPTLXJWVXBL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.79
Rot. Bonds4

About 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid

4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid (PubChem CID 62701484) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
PubChem CID62701484
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)c(N(C)CC(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)8-14(4)12-7-10(3)5-6-11(12)13(15)16/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyZPEOPTLXJWVXBL-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[methyl(2-methylpropyl)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

4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
2-[ethyl(methyl)amino]-4-methylbenzoic acid
CID 62703009
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 55107941
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501
5-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 63537680
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid?
The IUPAC name of 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid (CID 62701484) is 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid?
The canonical SMILES for 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid is Cc1ccc(C(=O)O)c(N(C)CC(C)C)c1.
What is the InChIKey of 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid?
The InChIKey is ZPEOPTLXJWVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)8-14(4)12-7-10(3)5-6-11(12)13(15)16/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid?
4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid is sourced from PubChem (CID 62701484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).