3-amino-4-[ethyl(methyl)amino]benzoic acid

C10H14N2O2 — CID 60990166

IUPAC3-amino-4-[ethyl(methyl)amino]benzoic acid
SMILESCCN(C)c1ccc(C(=O)O)cc1N
InChIInChI=1S/C10H14N2O2/c1-3-12(2)9-5-4-7(10(13)14)6-8(9)11/h4-6H,3,11H2,1-2H3,(H,13,14)
InChIKeyTZELYMDCUDOHAD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-4-[ethyl(methyl)amino]benzoic acid

3-amino-4-[ethyl(methyl)amino]benzoic acid (PubChem CID 60990166) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-4-[ethyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[ethyl(methyl)amino]benzoic acid
PubChem CID60990166
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-4-[ethyl(methyl)amino]benzoic acid
SMILESCCN(C)c1ccc(C(=O)O)cc1N
InChIInChI=1S/C10H14N2O2/c1-3-12(2)9-5-4-7(10(13)14)6-8(9)11/h4-6H,3,11H2,1-2H3,(H,13,14)
InChIKeyTZELYMDCUDOHAD-UHFFFAOYSA-N
XLogP1.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[ethyl(methyl)carbamoyl]-methylamino]benzoic acid
CID 79159795
3-amino-4-[methyl(2-methylbutyl)amino]benzoic acid
CID 60989618
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
3-amino-4-[cyanomethyl(methyl)amino]benzoic acid
CID 63117517
3-amino-4-[ethyl(propan-2-ylsulfonyl)amino]benzoic acid
CID 63119114
4-[ethyl(methyl)amino]-3-fluorobenzoic acid
CID 43263559
3-amino-4-[methyl(3-methylsulfonylpropyl)amino]benzoic acid
CID 63191426
3-amino-4-[ethyl(2-ethylsulfonylethyl)amino]benzoic acid
CID 63119018
3-amino-4-(N-ethylanilino)benzoic acid
CID 54888270
3-amino-4-[(1-amino-1-oxobutan-2-yl)-methylamino]benzoic acid
CID 63117706
3-amino-4-[methyl(2-methylbutanoyl)amino]benzoic acid
CID 63117690
3-amino-4-[tert-butylsulfonyl(methyl)amino]benzoic acid
CID 63688590

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[ethyl(methyl)amino]benzoic acid?
The IUPAC name of 3-amino-4-[ethyl(methyl)amino]benzoic acid (CID 60990166) is 3-amino-4-[ethyl(methyl)amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[ethyl(methyl)amino]benzoic acid?
The canonical SMILES for 3-amino-4-[ethyl(methyl)amino]benzoic acid is CCN(C)c1ccc(C(=O)O)cc1N.
What is the InChIKey of 3-amino-4-[ethyl(methyl)amino]benzoic acid?
The InChIKey is TZELYMDCUDOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-12(2)9-5-4-7(10(13)14)6-8(9)11/h4-6H,3,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-4-[ethyl(methyl)amino]benzoic acid?
3-amino-4-[ethyl(methyl)amino]benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[ethyl(methyl)amino]benzoic acid is sourced from PubChem (CID 60990166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).