2-(diethylamino)-4-ethylbenzoic acid

C13H19NO2 — CID 70604217

IUPAC2-(diethylamino)-4-ethylbenzoic acid
SMILESCCc1ccc(C(=O)O)c(N(CC)CC)c1
InChIInChI=1S/C13H19NO2/c1-4-10-7-8-11(13(15)16)12(9-10)14(5-2)6-3/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyAKSHQOYTUOYKRO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.79
Rot. Bonds5

About 2-(diethylamino)-4-ethylbenzoic acid

2-(diethylamino)-4-ethylbenzoic acid (PubChem CID 70604217) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(diethylamino)-4-ethylbenzoic acid.

Molecular Properties

Compound Name2-(diethylamino)-4-ethylbenzoic acid
PubChem CID70604217
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(diethylamino)-4-ethylbenzoic acid
SMILESCCc1ccc(C(=O)O)c(N(CC)CC)c1
InChIInChI=1S/C13H19NO2/c1-4-10-7-8-11(13(15)16)12(9-10)14(5-2)6-3/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyAKSHQOYTUOYKRO-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mefenamic Acid
CID 4044
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
Methyl N,N-dimethylanthranilate
CID 82336
N-(2-carboxyphenyl)glycine
CID 69161
4-Methylanthranilic acid
CID 75316
2-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid
CID 10303
2-(Methylamino)benzoic acid
CID 67069
3-(Dimethylamino)benzoic acid
CID 66837
2-(Dimethylamino)benzoic acid
CID 69118
Benzoic acid, 2-((acetylmethyl)amino)-
CID 793024
N-(3-Methylphenyl)anthranilic acid
CID 85472

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-ethylbenzoic acid?
The IUPAC name of 2-(diethylamino)-4-ethylbenzoic acid (CID 70604217) is 2-(diethylamino)-4-ethylbenzoic acid.
What is the SMILES notation for 2-(diethylamino)-4-ethylbenzoic acid?
The canonical SMILES for 2-(diethylamino)-4-ethylbenzoic acid is CCc1ccc(C(=O)O)c(N(CC)CC)c1.
What is the InChIKey of 2-(diethylamino)-4-ethylbenzoic acid?
The InChIKey is AKSHQOYTUOYKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10-7-8-11(13(15)16)12(9-10)14(5-2)6-3/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(diethylamino)-4-ethylbenzoic acid?
2-(diethylamino)-4-ethylbenzoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-ethylbenzoic acid is sourced from PubChem (CID 70604217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).