5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid

C13H19NO3 — CID 151618234

IUPAC5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid
SMILESCCN(C)CCc1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C13H19NO3/c1-4-14(3)6-5-10-8-11(13(16)17)12(15)7-9(10)2/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyQNYXXSKXUJCPLI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.89
Rot. Bonds5

About 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid

5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid (PubChem CID 151618234) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid
PubChem CID151618234
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid
SMILESCCN(C)CCc1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C13H19NO3/c1-4-14(3)6-5-10-8-11(13(16)17)12(15)7-9(10)2/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyQNYXXSKXUJCPLI-UHFFFAOYSA-N
XLogP1.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid (CID 151618234) is 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid is CCN(C)CCc1cc(C(=O)O)c(O)cc1C.
What is the InChIKey of 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid?
The InChIKey is QNYXXSKXUJCPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14(3)6-5-10-8-11(13(16)17)12(15)7-9(10)2/h7-8,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid?
5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(methyl)amino]ethyl]-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 151618234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).