4-(4-amino-3-methylphenyl)benzoic acid

C14H13NO2 — CID 23005198

IUPAC4-(4-amino-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2)ccc1N
InChIInChI=1S/C14H13NO2/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8H,15H2,1H3,(H,16,17)
InChIKeyORLVBIBBXUMNLI-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.94
Rot. Bonds2

About 4-(4-amino-3-methylphenyl)benzoic acid

4-(4-amino-3-methylphenyl)benzoic acid (PubChem CID 23005198) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)benzoic acid
PubChem CID23005198
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(4-amino-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2)ccc1N
InChIInChI=1S/C14H13NO2/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8H,15H2,1H3,(H,16,17)
InChIKeyORLVBIBBXUMNLI-UHFFFAOYSA-N
XLogP2.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-amino-3-methylphenyl)benzoic acid
CID 143962907
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
4-[4-(4-amino-3-methylphenyl)phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 23549316
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
CID 174102505
CID 174102505
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
CID 70365810
2-methylaniline;terephthalic acid
CID 174605990
4-(4-amino-3-methylphenyl)-2-methylaniline;isocyanic acid
CID 87135424

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)benzoic acid?
The IUPAC name of 4-(4-amino-3-methylphenyl)benzoic acid (CID 23005198) is 4-(4-amino-3-methylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)benzoic acid?
The canonical SMILES for 4-(4-amino-3-methylphenyl)benzoic acid is Cc1cc(-c2ccc(C(=O)O)cc2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylphenyl)benzoic acid?
The InChIKey is ORLVBIBBXUMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)14(16)17/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-(4-amino-3-methylphenyl)benzoic acid?
4-(4-amino-3-methylphenyl)benzoic acid has a molecular weight of 227.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)benzoic acid is sourced from PubChem (CID 23005198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).