2-amino-4-(2,6-dimethylanilino)benzoic acid

C15H16N2O2 — CID 104500168

IUPAC2-amino-4-(2,6-dimethylanilino)benzoic acid
SMILESCc1cccc(C)c1Nc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H16N2O2/c1-9-4-3-5-10(2)14(9)17-11-6-7-12(15(18)19)13(16)8-11/h3-8,17H,16H2,1-2H3,(H,18,19)
InChIKeyDGHXCFHAPZJNOX-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.33
Rot. Bonds3

About 2-amino-4-(2,6-dimethylanilino)benzoic acid

2-amino-4-(2,6-dimethylanilino)benzoic acid (PubChem CID 104500168) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-4-(2,6-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2,6-dimethylanilino)benzoic acid
PubChem CID104500168
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-amino-4-(2,6-dimethylanilino)benzoic acid
SMILESCc1cccc(C)c1Nc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H16N2O2/c1-9-4-3-5-10(2)14(9)17-11-6-7-12(15(18)19)13(16)8-11/h3-8,17H,16H2,1-2H3,(H,18,19)
InChIKeyDGHXCFHAPZJNOX-UHFFFAOYSA-N
XLogP3.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.33
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

2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 107193367
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
CID 104528342
2-amino-4-(2-bromo-5-methylanilino)benzoic acid
CID 113419864
2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
2-amino-4-[2-(methoxymethyl)anilino]benzoic acid
CID 104500392
2-(4-methoxyanilino)-3-methylbenzoic acid
CID 174942223

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dimethylanilino)benzoic acid?
The IUPAC name of 2-amino-4-(2,6-dimethylanilino)benzoic acid (CID 104500168) is 2-amino-4-(2,6-dimethylanilino)benzoic acid.
What is the SMILES notation for 2-amino-4-(2,6-dimethylanilino)benzoic acid?
The canonical SMILES for 2-amino-4-(2,6-dimethylanilino)benzoic acid is Cc1cccc(C)c1Nc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-(2,6-dimethylanilino)benzoic acid?
The InChIKey is DGHXCFHAPZJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-4-3-5-10(2)14(9)17-11-6-7-12(15(18)19)13(16)8-11/h3-8,17H,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-(2,6-dimethylanilino)benzoic acid?
2-amino-4-(2,6-dimethylanilino)benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dimethylanilino)benzoic acid is sourced from PubChem (CID 104500168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).