2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid

C11H15NO3 — CID 168876495

IUPAC2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)c(CCN)c1
InChIInChI=1S/C11H15NO3/c1-15-10-3-2-8(7-11(13)14)9(6-10)4-5-12/h2-3,6H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyHQBMNBZCLUFWJW-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.82
Rot. Bonds5

About 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid

2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid (PubChem CID 168876495) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
PubChem CID168876495
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)c(CCN)c1
InChIInChI=1S/C11H15NO3/c1-15-10-3-2-8(7-11(13)14)9(6-10)4-5-12/h2-3,6H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyHQBMNBZCLUFWJW-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053
2-[2-(4-aminobut-1-enyl)-4-methoxyphenyl]acetic acid
CID 170487768
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79621891
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid (CID 168876495) is 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)c(CCN)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid?
The InChIKey is HQBMNBZCLUFWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-10-3-2-8(7-11(13)14)9(6-10)4-5-12/h2-3,6H,4-5,7,12H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid?
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 168876495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).