4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid

C15H20FNO2 — CID 107453491

IUPAC4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
SMILESCC1CCCC1CNCc1cc(C(=O)O)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-3-2-4-12(10)8-17-9-13-7-11(15(18)19)5-6-14(13)16/h5-7,10,12,17H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyDVZSVKBYKNCYFG-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.05
Rot. Bonds5

About 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid

4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid (PubChem CID 107453491) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
PubChem CID107453491
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
SMILESCC1CCCC1CNCc1cc(C(=O)O)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-3-2-4-12(10)8-17-9-13-7-11(15(18)19)5-6-14(13)16/h5-7,10,12,17H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyDVZSVKBYKNCYFG-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
3-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-4-fluorobenzoic acid
CID 107452887
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107418224
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
3,5-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107418977
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-fluoro-3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 107452977
3-[[(2,3-dimethylcyclohexyl)methylamino]methyl]benzoic acid
CID 122033784
4-fluoro-3-[[(3-methylcyclobutyl)amino]methyl]benzoic acid
CID 107453364
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067272
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid (CID 107453491) is 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid is CC1CCCC1CNCc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid?
The InChIKey is DVZSVKBYKNCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-3-2-4-12(10)8-17-9-13-7-11(15(18)19)5-6-14(13)16/h5-7,10,12,17H,2-4,8-9H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid?
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid is sourced from PubChem (CID 107453491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).