3-methyl-4-(2-propylanilino)benzoic acid

C17H19NO2 — CID 63537008

IUPAC3-methyl-4-(2-propylanilino)benzoic acid
SMILESCCCc1ccccc1Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C17H19NO2/c1-3-6-13-7-4-5-8-16(13)18-15-10-9-14(17(19)20)11-12(15)2/h4-5,7-11,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyHIVRNZWBDVGKCN-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.39
Rot. Bonds5

About 3-methyl-4-(2-propylanilino)benzoic acid

3-methyl-4-(2-propylanilino)benzoic acid (PubChem CID 63537008) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-methyl-4-(2-propylanilino)benzoic acid.

Molecular Properties

Compound Name3-methyl-4-(2-propylanilino)benzoic acid
PubChem CID63537008
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-methyl-4-(2-propylanilino)benzoic acid
SMILESCCCc1ccccc1Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C17H19NO2/c1-3-6-13-7-4-5-8-16(13)18-15-10-9-14(17(19)20)11-12(15)2/h4-5,7-11,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyHIVRNZWBDVGKCN-UHFFFAOYSA-N
XLogP4.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(2-propylanilino)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-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 63526781
3-formyl-4-(2-methylanilino)benzoic acid
CID 17201766
4-(2,6-dichloroanilino)-3-methylbenzoic acid
CID 65498818
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid
CID 18783963
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
4-(2,2-dimethylbutylamino)-3-methylbenzoic acid
CID 103462028
4-(2,5-difluoroanilino)-3-methylbenzoic acid
CID 63212505

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-propylanilino)benzoic acid?
The IUPAC name of 3-methyl-4-(2-propylanilino)benzoic acid (CID 63537008) is 3-methyl-4-(2-propylanilino)benzoic acid.
What is the SMILES notation for 3-methyl-4-(2-propylanilino)benzoic acid?
The canonical SMILES for 3-methyl-4-(2-propylanilino)benzoic acid is CCCc1ccccc1Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 3-methyl-4-(2-propylanilino)benzoic acid?
The InChIKey is HIVRNZWBDVGKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-6-13-7-4-5-8-16(13)18-15-10-9-14(17(19)20)11-12(15)2/h4-5,7-11,18H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-4-(2-propylanilino)benzoic acid?
3-methyl-4-(2-propylanilino)benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-propylanilino)benzoic acid is sourced from PubChem (CID 63537008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).