2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid

C11H15NO3 — CID 22961946

IUPAC2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
SMILESCNCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-12-7-6-9-2-4-10(5-3-9)15-8-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14)
InChIKeyMRCYATZIEWQAQM-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.91
Rot. Bonds6

About 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid

2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid (PubChem CID 22961946) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
PubChem CID22961946
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
SMILESCNCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-12-7-6-9-2-4-10(5-3-9)15-8-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14)
InChIKeyMRCYATZIEWQAQM-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-(4-octylphenoxy)acetic acid
CID 27145
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
CID 22160443
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid (CID 22961946) is 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid is CNCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid?
The InChIKey is MRCYATZIEWQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12-7-6-9-2-4-10(5-3-9)15-8-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid?
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 22961946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).