2-amino-4-(4-ethoxyanilino)benzoic acid

C15H16N2O3 — CID 104500077

IUPAC2-amino-4-(4-ethoxyanilino)benzoic acid
SMILESCCOc1ccc(Nc2ccc(C(=O)O)c(N)c2)cc1
InChIInChI=1S/C15H16N2O3/c1-2-20-12-6-3-10(4-7-12)17-11-5-8-13(15(18)19)14(16)9-11/h3-9,17H,2,16H2,1H3,(H,18,19)
InChIKeyRPQDJIVOOQEPJM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.11
Rot. Bonds5

About 2-amino-4-(4-ethoxyanilino)benzoic acid

2-amino-4-(4-ethoxyanilino)benzoic acid (PubChem CID 104500077) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyanilino)benzoic acid
PubChem CID104500077
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-amino-4-(4-ethoxyanilino)benzoic acid
SMILESCCOc1ccc(Nc2ccc(C(=O)O)c(N)c2)cc1
InChIInChI=1S/C15H16N2O3/c1-2-20-12-6-3-10(4-7-12)17-11-5-8-13(15(18)19)14(16)9-11/h3-9,17H,2,16H2,1H3,(H,18,19)
InChIKeyRPQDJIVOOQEPJM-UHFFFAOYSA-N
XLogP3.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
2-(4-ethoxyanilino)benzoic acid
CID 15247418
2-amino-4-(2-ethoxyethylamino)benzoic acid
CID 104500034
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyanilino)benzoic acid?
The IUPAC name of 2-amino-4-(4-ethoxyanilino)benzoic acid (CID 104500077) is 2-amino-4-(4-ethoxyanilino)benzoic acid.
What is the SMILES notation for 2-amino-4-(4-ethoxyanilino)benzoic acid?
The canonical SMILES for 2-amino-4-(4-ethoxyanilino)benzoic acid is CCOc1ccc(Nc2ccc(C(=O)O)c(N)c2)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyanilino)benzoic acid?
The InChIKey is RPQDJIVOOQEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-12-6-3-10(4-7-12)17-11-5-8-13(15(18)19)14(16)9-11/h3-9,17H,2,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-(4-ethoxyanilino)benzoic acid?
2-amino-4-(4-ethoxyanilino)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyanilino)benzoic acid is sourced from PubChem (CID 104500077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).