2-amino-5-(2,4,6-trimethylanilino)benzoic acid

C16H18N2O2 — CID 60988908

IUPAC2-amino-5-(2,4,6-trimethylanilino)benzoic acid
SMILESCc1cc(C)c(Nc2ccc(N)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-9-6-10(2)15(11(3)7-9)18-12-4-5-14(17)13(8-12)16(19)20/h4-8,18H,17H2,1-3H3,(H,19,20)
InChIKeyAEYVWPUGYCNGBI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-5-(2,4,6-trimethylanilino)benzoic acid

2-amino-5-(2,4,6-trimethylanilino)benzoic acid (PubChem CID 60988908) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-5-(2,4,6-trimethylanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,4,6-trimethylanilino)benzoic acid
PubChem CID60988908
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-5-(2,4,6-trimethylanilino)benzoic acid
SMILESCc1cc(C)c(Nc2ccc(N)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-9-6-10(2)15(11(3)7-9)18-12-4-5-14(17)13(8-12)16(19)20/h4-8,18H,17H2,1-3H3,(H,19,20)
InChIKeyAEYVWPUGYCNGBI-UHFFFAOYSA-N
XLogP3.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.64
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)benzamide
CID 61313467
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(4-iodoanilino)benzoic acid
CID 60988591
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
2-amino-5-(4-amino-3-methylphenyl)benzoic acid
CID 143962907

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4,6-trimethylanilino)benzoic acid?
The IUPAC name of 2-amino-5-(2,4,6-trimethylanilino)benzoic acid (CID 60988908) is 2-amino-5-(2,4,6-trimethylanilino)benzoic acid.
What is the SMILES notation for 2-amino-5-(2,4,6-trimethylanilino)benzoic acid?
The canonical SMILES for 2-amino-5-(2,4,6-trimethylanilino)benzoic acid is Cc1cc(C)c(Nc2ccc(N)c(C(=O)O)c2)c(C)c1.
What is the InChIKey of 2-amino-5-(2,4,6-trimethylanilino)benzoic acid?
The InChIKey is AEYVWPUGYCNGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9-6-10(2)15(11(3)7-9)18-12-4-5-14(17)13(8-12)16(19)20/h4-8,18H,17H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-5-(2,4,6-trimethylanilino)benzoic acid?
2-amino-5-(2,4,6-trimethylanilino)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4,6-trimethylanilino)benzoic acid is sourced from PubChem (CID 60988908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).