2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid

C11H15NO3 — CID 83820596

IUPAC2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
SMILESCN(CCO)c1ccccc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-12(6-7-13)10-5-3-2-4-9(10)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyDBZKQSMCQYXVTB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.74
Rot. Bonds5

About 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid

2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid (PubChem CID 83820596) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
PubChem CID83820596
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
SMILESCN(CCO)c1ccccc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-12(6-7-13)10-5-3-2-4-9(10)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyDBZKQSMCQYXVTB-UHFFFAOYSA-N
XLogP0.74
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dichloroamino)phenyl]acetic acid
CID 140981743
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
CID 174946670
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
1-[2-hydroxyethyl(methyl)amino]anthracene-9,10-dione
CID 12804072
N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine
CID 28772630
2-[3-(dimethylamino)-2-methylphenyl]acetic acid
CID 155670062
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-[(S)-methylsulfinyl]phenyl]acetic acid
CID 97358995

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid (CID 83820596) is 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid is CN(CCO)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid?
The InChIKey is DBZKQSMCQYXVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(6-7-13)10-5-3-2-4-9(10)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid?
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid is sourced from PubChem (CID 83820596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).