4-amino-2-[2-(diethylamino)ethoxy]benzoic acid

C13H20N2O3 — CID 56992725

IUPAC4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
SMILESCCN(CC)CCOc1cc(N)ccc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-15(4-2)7-8-18-12-9-10(14)5-6-11(12)13(16)17/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,17)
InChIKeyIJWWJGJEULKYCU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.69
Rot. Bonds7

About 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid

4-amino-2-[2-(diethylamino)ethoxy]benzoic acid (PubChem CID 56992725) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
PubChem CID56992725
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
SMILESCCN(CC)CCOc1cc(N)ccc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-15(4-2)7-8-18-12-9-10(14)5-6-11(12)13(16)17/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,17)
InChIKeyIJWWJGJEULKYCU-UHFFFAOYSA-N
XLogP1.69
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-nonoxybenzoic acid
CID 106954713
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-amino-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 106954840
4-amino-2-(3-methylsulfanylpropoxy)benzoic acid
CID 106954863
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703
4-amino-2-(6-ethoxy-6-oxohexoxy)benzoic acid
CID 106954896
4-amino-2-[2-(2-methylpropoxy)ethoxy]benzoic acid
CID 106448425
4-amino-2-(2-tert-butylsulfonylethoxy)benzoic acid
CID 106954839
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
CID 115505662
4-amino-2-(cyanomethoxy)benzoic acid
CID 106954874

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid?
The IUPAC name of 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid (CID 56992725) is 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid is CCN(CC)CCOc1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid?
The InChIKey is IJWWJGJEULKYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-15(4-2)7-8-18-12-9-10(14)5-6-11(12)13(16)17/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid?
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(diethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 56992725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).