2-anilino-3,5-dimethylterephthalic acid

C16H15NO4 — CID 88801494

IUPAC2-anilino-3,5-dimethylterephthalic acid
SMILESCc1cc(C(=O)O)c(Nc2ccccc2)c(C)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-9-8-12(15(18)19)14(10(2)13(9)16(20)21)17-11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXOCXJQCYZTUXSU-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.44
Rot. Bonds4

About 2-anilino-3,5-dimethylterephthalic acid

2-anilino-3,5-dimethylterephthalic acid (PubChem CID 88801494) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-anilino-3,5-dimethylterephthalic acid.

Molecular Properties

Compound Name2-anilino-3,5-dimethylterephthalic acid
PubChem CID88801494
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-anilino-3,5-dimethylterephthalic acid
SMILESCc1cc(C(=O)O)c(Nc2ccccc2)c(C)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-9-8-12(15(18)19)14(10(2)13(9)16(20)21)17-11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXOCXJQCYZTUXSU-UHFFFAOYSA-N
XLogP3.44
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dianilino-5,6-dimethylterephthalic acid
CID 19027235
CID 21264755
CID 21264755
4,5-dianilino-3,6-difluorophthalic acid
CID 139627144
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
3-anilino-4-iodo-2-methylbenzamide
CID 139928039
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3,5-dimethylterephthalic acid?
The IUPAC name of 2-anilino-3,5-dimethylterephthalic acid (CID 88801494) is 2-anilino-3,5-dimethylterephthalic acid.
What is the SMILES notation for 2-anilino-3,5-dimethylterephthalic acid?
The canonical SMILES for 2-anilino-3,5-dimethylterephthalic acid is Cc1cc(C(=O)O)c(Nc2ccccc2)c(C)c1C(=O)O.
What is the InChIKey of 2-anilino-3,5-dimethylterephthalic acid?
The InChIKey is XOCXJQCYZTUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-8-12(15(18)19)14(10(2)13(9)16(20)21)17-11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-anilino-3,5-dimethylterephthalic acid?
2-anilino-3,5-dimethylterephthalic acid has a molecular weight of 285.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3,5-dimethylterephthalic acid is sourced from PubChem (CID 88801494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).