2-(4-methoxyanilino)-3-methylbenzoic acid

C15H15NO3 — CID 174942223

IUPAC2-(4-methoxyanilino)-3-methylbenzoic acid
SMILESCOc1ccc(Nc2c(C)cccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10-4-3-5-13(15(17)18)14(10)16-11-6-8-12(19-2)9-7-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyRLJPHHQQUWGUFP-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-methoxyanilino)-3-methylbenzoic acid

2-(4-methoxyanilino)-3-methylbenzoic acid (PubChem CID 174942223) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3-methylbenzoic acid
PubChem CID174942223
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(4-methoxyanilino)-3-methylbenzoic acid
SMILESCOc1ccc(Nc2c(C)cccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10-4-3-5-13(15(17)18)14(10)16-11-6-8-12(19-2)9-7-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyRLJPHHQQUWGUFP-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3-methylbenzoic acid?
The IUPAC name of 2-(4-methoxyanilino)-3-methylbenzoic acid (CID 174942223) is 2-(4-methoxyanilino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(4-methoxyanilino)-3-methylbenzoic acid?
The canonical SMILES for 2-(4-methoxyanilino)-3-methylbenzoic acid is COc1ccc(Nc2c(C)cccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3-methylbenzoic acid?
The InChIKey is RLJPHHQQUWGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-4-3-5-13(15(17)18)14(10)16-11-6-8-12(19-2)9-7-11/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxyanilino)-3-methylbenzoic acid?
2-(4-methoxyanilino)-3-methylbenzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3-methylbenzoic acid is sourced from PubChem (CID 174942223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).