5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid

C14H19FN2O2 — CID 63207861

IUPAC5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
SMILESCN(CCN1CCCC1)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-16(8-9-17-6-2-3-7-17)13-5-4-11(15)10-12(13)14(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)
InChIKeyHGTBMXLZAKLQBN-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.06
Rot. Bonds5

About 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid

5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid (PubChem CID 63207861) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
PubChem CID63207861
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
SMILESCN(CCN1CCCC1)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-16(8-9-17-6-2-3-7-17)13-5-4-11(15)10-12(13)14(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)
InChIKeyHGTBMXLZAKLQBN-UHFFFAOYSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 78941192
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
5-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoic acid
CID 61442384
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 55163227
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
CID 63694387
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053
(2-bromo-5-fluorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60698518
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63289590
1-[3-bromo-4-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 55163814

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid (CID 63207861) is 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid is CN(CCN1CCCC1)c1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
The InChIKey is HGTBMXLZAKLQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16(8-9-17-6-2-3-7-17)13-5-4-11(15)10-12(13)14(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid?
5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid has a molecular weight of 266.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid is sourced from PubChem (CID 63207861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).