2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid

C13H19NO4 — CID 102535781

IUPAC2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
SMILESCCNCc1cccc(OCC)c1OCC(=O)O
InChIInChI=1S/C13H19NO4/c1-3-14-8-10-6-5-7-11(17-4-2)13(10)18-9-12(15)16/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyWTTVEBXKJJRLKS-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.66
Rot. Bonds8

About 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid

2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid (PubChem CID 102535781) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
PubChem CID102535781
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
SMILESCCNCc1cccc(OCC)c1OCC(=O)O
InChIInChI=1S/C13H19NO4/c1-3-14-8-10-6-5-7-11(17-4-2)13(10)18-9-12(15)16/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyWTTVEBXKJJRLKS-UHFFFAOYSA-N
XLogP1.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006070
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
CID 61390012

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid (CID 102535781) is 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid is CCNCc1cccc(OCC)c1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid?
The InChIKey is WTTVEBXKJJRLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-14-8-10-6-5-7-11(17-4-2)13(10)18-9-12(15)16/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid?
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid is sourced from PubChem (CID 102535781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).