2-amino-3-(2,6-dimethylphenyl)benzoic acid

C15H15NO2 — CID 70207656

IUPAC2-amino-3-(2,6-dimethylphenyl)benzoic acid
SMILESCc1cccc(C)c1-c1cccc(C(=O)O)c1N
InChIInChI=1S/C15H15NO2/c1-9-5-3-6-10(2)13(9)11-7-4-8-12(14(11)16)15(17)18/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyQJSFCZDDRADBPF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.25
Rot. Bonds2

About 2-amino-3-(2,6-dimethylphenyl)benzoic acid

2-amino-3-(2,6-dimethylphenyl)benzoic acid (PubChem CID 70207656) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-(2,6-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2,6-dimethylphenyl)benzoic acid
PubChem CID70207656
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-amino-3-(2,6-dimethylphenyl)benzoic acid
SMILESCc1cccc(C)c1-c1cccc(C(=O)O)c1N
InChIInChI=1S/C15H15NO2/c1-9-5-3-6-10(2)13(9)11-7-4-8-12(14(11)16)15(17)18/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyQJSFCZDDRADBPF-UHFFFAOYSA-N
XLogP3.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.25
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-3-methylbenzoic acid;azane
CID 69400013
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
2-amino-3-[2-amino-3-(propan-2-ylcarbamoyl)phenyl]benzoic acid
CID 141245563
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
2-[2-(bromomethyl)phenyl]-3-methylbenzoic acid
CID 68554769
2-amino-3-(furan-2-yl)benzoic acid
CID 10798178
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
iron;2-methylbenzoic acid
CID 174483135
bis(2-methylbenzoic acid);hydrate
CID 69398343
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dimethylphenyl)benzoic acid?
The IUPAC name of 2-amino-3-(2,6-dimethylphenyl)benzoic acid (CID 70207656) is 2-amino-3-(2,6-dimethylphenyl)benzoic acid.
What is the SMILES notation for 2-amino-3-(2,6-dimethylphenyl)benzoic acid?
The canonical SMILES for 2-amino-3-(2,6-dimethylphenyl)benzoic acid is Cc1cccc(C)c1-c1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-(2,6-dimethylphenyl)benzoic acid?
The InChIKey is QJSFCZDDRADBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-5-3-6-10(2)13(9)11-7-4-8-12(14(11)16)15(17)18/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-(2,6-dimethylphenyl)benzoic acid?
2-amino-3-(2,6-dimethylphenyl)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dimethylphenyl)benzoic acid is sourced from PubChem (CID 70207656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).