2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid

C12H16FNO3 — CID 61446574

IUPAC2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
SMILESCCN(CCOC)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C12H16FNO3/c1-3-14(6-7-17-2)11-5-4-9(13)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyOTWNNZWNCRAMHW-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.00
Rot. Bonds6

About 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid

2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid (PubChem CID 61446574) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
PubChem CID61446574
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
SMILESCCN(CCOC)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C12H16FNO3/c1-3-14(6-7-17-2)11-5-4-9(13)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyOTWNNZWNCRAMHW-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl(2-methoxyethyl)amino]-5-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-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63292652
5-fluoro-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 63292694
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
CID 165485905
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
2-[bis(cyanomethyl)amino]-5-fluorobenzoic acid
CID 43312964
1-[2-[ethyl(2-methoxyethyl)amino]-5-nitrophenyl]ethanone
CID 55129442
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid (CID 61446574) is 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid is CCN(CCOC)c1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid?
The InChIKey is OTWNNZWNCRAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-14(6-7-17-2)11-5-4-9(13)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid?
2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid has a molecular weight of 241.26 g/mol, XLogP of 2.00, 6 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]-5-fluorobenzoic acid is sourced from PubChem (CID 61446574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).