3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid

C13H19NO3 — CID 55136245

IUPAC3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
SMILESCCN(CCOC)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-3-14(7-8-17-2)10-11-5-4-6-12(9-11)13(15)16/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyLVEWASHHQJGOOY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.85
Rot. Bonds7

About 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid

3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid (PubChem CID 55136245) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
PubChem CID55136245
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
SMILESCCN(CCOC)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-3-14(7-8-17-2)10-11-5-4-6-12(9-11)13(15)16/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyLVEWASHHQJGOOY-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic 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

3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
3-[[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122028958
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
CID 63793879
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
CID 87022215
3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
CID 20989136
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
3-[[bis(3-methylbutyl)amino]methyl]benzoic acid
CID 107870320
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid (CID 55136245) is 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid is CCN(CCOC)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid?
The InChIKey is LVEWASHHQJGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14(7-8-17-2)10-11-5-4-6-12(9-11)13(15)16/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid?
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 55136245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).