2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid

C11H15NO3 — CID 62514138

IUPAC2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(N(C)CCO)c(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-8-3-4-10(12(2)5-6-13)9(7-8)11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyCEBXZGZZUPRALD-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.12
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid

2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid (PubChem CID 62514138) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid
PubChem CID62514138
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(N(C)CCO)c(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-8-3-4-10(12(2)5-6-13)9(7-8)11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyCEBXZGZZUPRALD-UHFFFAOYSA-N
XLogP1.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[methyl(pentyl)amino]benzoic acid
CID 62514125
2-[2-ethoxyethyl(methyl)amino]-5-methylbenzoic acid
CID 81056290
2-[2-hydroxyethyl(propan-2-yl)amino]-5-methylbenzoic acid
CID 62514314
2-[2,2-dimethylpropyl(methyl)amino]-5-methylbenzoic acid
CID 62516741
ethane;5-methyl-2-[methyl(methylsulfinyl)amino]benzoic acid
CID 166075270
2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63537836
5-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 62515703
2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533
5-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 55227035
5-amino-2-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 63116498
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
CID 62514826

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid (CID 62514138) is 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid is Cc1ccc(N(C)CCO)c(C(=O)O)c1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid?
The InChIKey is CEBXZGZZUPRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-4-10(12(2)5-6-13)9(7-8)11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid?
2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 62514138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).