2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid

C13H18FNO3 — CID 107907739

IUPAC2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
SMILESCCN(CCOC)Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H18FNO3/c1-3-15(6-7-18-2)9-10-8-11(14)4-5-12(10)13(16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyUTSPTEDLFHBIPS-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.99
Rot. Bonds7

About 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid

2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid (PubChem CID 107907739) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
PubChem CID107907739
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
SMILESCCN(CCOC)Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H18FNO3/c1-3-15(6-7-18-2)9-10-8-11(14)4-5-12(10)13(16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyUTSPTEDLFHBIPS-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic 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-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
2-[[ethyl(2-methoxyethyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994528
2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 61446574
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
5-fluoro-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 63292694
5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63292652
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115970502
3-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]propanoic acid
CID 107701775
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid (CID 107907739) is 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid is CCN(CCOC)Cc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid?
The InChIKey is UTSPTEDLFHBIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-15(6-7-18-2)9-10-8-11(14)4-5-12(10)13(16)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid?
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid is sourced from PubChem (CID 107907739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).