2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid

C17H28N2O2 — CID 175521616

IUPAC2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid
SMILESCCN(CC)CCc1cccc(C(=O)O)c1N(CC)CC
InChIInChI=1S/C17H28N2O2/c1-5-18(6-2)13-12-14-10-9-11-15(17(20)21)16(14)19(7-3)8-4/h9-11H,5-8,12-13H2,1-4H3,(H,20,21)
InChIKeyFZSWJCLEMGHOIV-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.12
Rot. Bonds9

About 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid

2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid (PubChem CID 175521616) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid
PubChem CID175521616
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid
SMILESCCN(CC)CCc1cccc(C(=O)O)c1N(CC)CC
InChIInChI=1S/C17H28N2O2/c1-5-18(6-2)13-12-14-10-9-11-15(17(20)21)16(14)19(7-3)8-4/h9-11H,5-8,12-13H2,1-4H3,(H,20,21)
InChIKeyFZSWJCLEMGHOIV-UHFFFAOYSA-N
XLogP3.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102995981
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831
2-carboxyphenolate;N,N-diethylpropan-1-amine
CID 54677140
3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 114067329
2-[ethyl(2-hydroxyethyl)amino]-3-nitrobenzoic acid
CID 112576860
3-(diethylamino)-2-methylbenzoic acid;hydrochloride
CID 139904487
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
2-(dimethylamino)benzene-1,3-dicarboxylic acid
CID 22767033
2-[2-(diethylamino)ethylsulfanyl]-3-propanoylbenzoic acid
CID 24803278
2-aminobenzoic acid;N,N-diethylethanamine
CID 69228024
2-(bromomethyl)-3-ethylbenzoic acid
CID 66619635

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid?
The IUPAC name of 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid (CID 175521616) is 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid.
What is the SMILES notation for 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid?
The canonical SMILES for 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid is CCN(CC)CCc1cccc(C(=O)O)c1N(CC)CC.
What is the InChIKey of 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid?
The InChIKey is FZSWJCLEMGHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-18(6-2)13-12-14-10-9-11-15(17(20)21)16(14)19(7-3)8-4/h9-11H,5-8,12-13H2,1-4H3,(H,20,21).
What are the key properties of 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid?
2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid has a molecular weight of 292.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-[2-(diethylamino)ethyl]benzoic acid is sourced from PubChem (CID 175521616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).