2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid

C15H20FNO3 — CID 106699147

IUPAC2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)c(F)c1)CC1CCCCO1
InChIInChI=1S/C15H20FNO3/c1-17(10-12-4-2-3-7-20-12)9-11-5-6-13(15(18)19)14(16)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,19)
InChIKeyGZJAJIPVNOLDBL-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.52
Rot. Bonds5

About 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid

2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid (PubChem CID 106699147) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
PubChem CID106699147
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)c(F)c1)CC1CCCCO1
InChIInChI=1S/C15H20FNO3/c1-17(10-12-4-2-3-7-20-12)9-11-5-6-13(15(18)19)14(16)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,19)
InChIKeyGZJAJIPVNOLDBL-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-[[methyl(oxan-2-ylmethyl)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

2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 107879242
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid (CID 106699147) is 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)c(F)c1)CC1CCCCO1.
What is the InChIKey of 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid?
The InChIKey is GZJAJIPVNOLDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-17(10-12-4-2-3-7-20-12)9-11-5-6-13(15(18)19)14(16)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid?
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 106699147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).