4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid

C15H23NO3 — CID 69431703

IUPAC4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
SMILESCCc1cc(OCCN(CC)CC)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-12-11-13(7-8-14(12)15(17)18)19-10-9-16(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyGTBIELGBYIVHBS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.67
Rot. Bonds8

About 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid

4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid (PubChem CID 69431703) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
PubChem CID69431703
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
SMILESCCc1cc(OCCN(CC)CC)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-12-11-13(7-8-14(12)15(17)18)19-10-9-16(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyGTBIELGBYIVHBS-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
CID 150907151
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
[4-[2-(diethylamino)ethoxy]phenyl] propanoate
CID 90991611
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
2-[ethyl(2-naphthalen-2-yloxyethyl)amino]acetic acid
CID 61011595
4-[2-(diethylamino)ethoxy]-6-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 54265250
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
CID 168997581
4-decoxy-2-hexoxybenzoic acid
CID 141156533
5-acetyloxy-2-[3-(diethylamino)propoxy]benzoic acid;hydrochloride
CID 24838329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid (CID 69431703) is 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid is CCc1cc(OCCN(CC)CC)ccc1C(=O)O.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid?
The InChIKey is GTBIELGBYIVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12-11-13(7-8-14(12)15(17)18)19-10-9-16(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid?
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid is sourced from PubChem (CID 69431703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).