5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid

C14H21NO4 — CID 81067675

IUPAC5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
SMILESCCOCCN(C)Cc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C14H21NO4/c1-4-19-8-7-15(2)10-11-5-6-13(18-3)12(9-11)14(16)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyZAQUFWOHXQOJCB-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.86
Rot. Bonds8

About 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid

5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid (PubChem CID 81067675) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
PubChem CID81067675
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
SMILESCCOCCN(C)Cc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C14H21NO4/c1-4-19-8-7-15(2)10-11-5-6-13(18-3)12(9-11)14(16)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyZAQUFWOHXQOJCB-UHFFFAOYSA-N
XLogP1.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic 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-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 65339124
2-methoxy-5-[[methyl(2-methylbutan-2-yl)amino]methyl]benzoic acid
CID 65339608
5-[[3-(dimethylamino)propyl-ethylamino]methyl]-2-methoxybenzoic acid
CID 102998109
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 65339367
[5-[[3-ethoxypropyl(methyl)amino]methyl]-2-methoxyphenyl]boronic acid
CID 159937100
4-[[2-ethoxyethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789872
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-methoxy-4-[[3-methoxypropyl(methyl)amino]methyl]benzoic acid
CID 106793619
2-methoxy-4-[[methyl(pentyl)amino]methyl]benzoic acid
CID 106793474
5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65343894
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 65339601

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid (CID 81067675) is 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid is CCOCCN(C)Cc1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
The InChIKey is ZAQUFWOHXQOJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-19-8-7-15(2)10-11-5-6-13(18-3)12(9-11)14(16)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 81067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).