2-(2-aminoethyl)-5-ethylbenzoic acid

C11H15NO2 — CID 83853045

IUPAC2-(2-aminoethyl)-5-ethylbenzoic acid
SMILESCCc1ccc(CCN)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-2-8-3-4-9(5-6-12)10(7-8)11(13)14/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyUJZWMWDWMFMLKT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-aminoethyl)-5-ethylbenzoic acid

2-(2-aminoethyl)-5-ethylbenzoic acid (PubChem CID 83853045) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-ethylbenzoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-ethylbenzoic acid
PubChem CID83853045
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(2-aminoethyl)-5-ethylbenzoic acid
SMILESCCc1ccc(CCN)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-2-8-3-4-9(5-6-12)10(7-8)11(13)14/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyUJZWMWDWMFMLKT-UHFFFAOYSA-N
XLogP1.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
5-ethyl-2-[2-(trioxidanyl)ethyl]benzoic acid
CID 142152510
2-(2,5-diethylphenyl)ethanamine
CID 117277667
2,5-dipropylbenzoic acid
CID 139904729
3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
CID 83946549
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
5-(aminomethyl)-2-(hydroxymethyl)benzoic acid
CID 123783909
2,5-diethylbenzoyl iodide
CID 139959906
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
5-ethyl-2-methoxybenzoic acid
CID 20721149
propyl 2,5-diethylbenzoate
CID 22448167
4-[2-(4-aminophenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174561406

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-ethylbenzoic acid?
The IUPAC name of 2-(2-aminoethyl)-5-ethylbenzoic acid (CID 83853045) is 2-(2-aminoethyl)-5-ethylbenzoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-5-ethylbenzoic acid?
The canonical SMILES for 2-(2-aminoethyl)-5-ethylbenzoic acid is CCc1ccc(CCN)c(C(=O)O)c1.
What is the InChIKey of 2-(2-aminoethyl)-5-ethylbenzoic acid?
The InChIKey is UJZWMWDWMFMLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-8-3-4-9(5-6-12)10(7-8)11(13)14/h3-4,7H,2,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-aminoethyl)-5-ethylbenzoic acid?
2-(2-aminoethyl)-5-ethylbenzoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-ethylbenzoic acid is sourced from PubChem (CID 83853045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).