2-amino-5-(4-amino-3-methylphenyl)benzoic acid

C14H14N2O2 — CID 143962907

IUPAC2-amino-5-(4-amino-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(N)c(C(=O)O)c2)ccc1N
InChIInChI=1S/C14H14N2O2/c1-8-6-9(2-4-12(8)15)10-3-5-13(16)11(7-10)14(17)18/h2-7H,15-16H2,1H3,(H,17,18)
InChIKeyFEGAVGAYQMXPFI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.52
Rot. Bonds2

About 2-amino-5-(4-amino-3-methylphenyl)benzoic acid

2-amino-5-(4-amino-3-methylphenyl)benzoic acid (PubChem CID 143962907) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-5-(4-amino-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-amino-3-methylphenyl)benzoic acid
PubChem CID143962907
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-amino-5-(4-amino-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(N)c(C(=O)O)c2)ccc1N
InChIInChI=1S/C14H14N2O2/c1-8-6-9(2-4-12(8)15)10-3-5-13(16)11(7-10)14(17)18/h2-7H,15-16H2,1H3,(H,17,18)
InChIKeyFEGAVGAYQMXPFI-UHFFFAOYSA-N
XLogP2.52
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-amino-3-methylphenyl)-2-methylaniline;isocyanic acid
CID 87135424
4-(4-amino-3-methylphenyl)-2-methylaniline;cyanic acid;isocyanic acid
CID 174986882
4-[4-(4-amino-3-methylphenyl)phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 23549316
CID 144689894
CID 144689894
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-amino-3-methylphenyl)benzoic acid?
The IUPAC name of 2-amino-5-(4-amino-3-methylphenyl)benzoic acid (CID 143962907) is 2-amino-5-(4-amino-3-methylphenyl)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-amino-3-methylphenyl)benzoic acid?
The canonical SMILES for 2-amino-5-(4-amino-3-methylphenyl)benzoic acid is Cc1cc(-c2ccc(N)c(C(=O)O)c2)ccc1N.
What is the InChIKey of 2-amino-5-(4-amino-3-methylphenyl)benzoic acid?
The InChIKey is FEGAVGAYQMXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-6-9(2-4-12(8)15)10-3-5-13(16)11(7-10)14(17)18/h2-7H,15-16H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-(4-amino-3-methylphenyl)benzoic acid?
2-amino-5-(4-amino-3-methylphenyl)benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-amino-3-methylphenyl)benzoic acid is sourced from PubChem (CID 143962907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).