5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid

C15H22FNO4 — CID 63292652

IUPAC5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
SMILESCOCCN(Cc1ccc(F)cc1C(=O)O)C(C)COC
InChIInChI=1S/C15H22FNO4/c1-11(10-21-3)17(6-7-20-2)9-12-4-5-13(16)8-14(12)15(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyCEOATZDIUKGJCC-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.01
Rot. Bonds9

About 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid

5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid (PubChem CID 63292652) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
PubChem CID63292652
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
SMILESCOCCN(Cc1ccc(F)cc1C(=O)O)C(C)COC
InChIInChI=1S/C15H22FNO4/c1-11(10-21-3)17(6-7-20-2)9-12-4-5-13(16)8-14(12)15(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyCEOATZDIUKGJCC-UHFFFAOYSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid with MolForge

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Related Compounds

5-fluoro-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 63292694
3-fluoro-4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63075070
5-fluoro-2-[[pentyl(propan-2-yl)amino]methyl]benzoic acid
CID 63293041
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzoic acid
CID 63075063
2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 61446574
5-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880751
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 62648719
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 55004839

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid (CID 63292652) is 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid is COCCN(Cc1ccc(F)cc1C(=O)O)C(C)COC.
What is the InChIKey of 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid?
The InChIKey is CEOATZDIUKGJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-11(10-21-3)17(6-7-20-2)9-12-4-5-13(16)8-14(12)15(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid?
5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid has a molecular weight of 299.34 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 63292652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).