2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid

C15H20FNO3 — CID 107907776

IUPAC2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
SMILESCCC1COC(C)CN1Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO3/c1-3-13-9-20-10(2)7-17(13)8-11-6-12(16)4-5-14(11)15(18)19/h4-6,10,13H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyOMQYWNISXQCQIG-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.52
Rot. Bonds4

About 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid

2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid (PubChem CID 107907776) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
PubChem CID107907776
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
SMILESCCC1COC(C)CN1Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO3/c1-3-13-9-20-10(2)7-17(13)8-11-6-12(16)4-5-14(11)15(18)19/h4-6,10,13H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyOMQYWNISXQCQIG-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 61424395
3-chloro-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoic acid
CID 102669918
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 61424347
methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749215
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
CID 112616028
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020
3-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909172
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
The IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid (CID 107907776) is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid is CCC1COC(C)CN1Cc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
The InChIKey is OMQYWNISXQCQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-13-9-20-10(2)7-17(13)8-11-6-12(16)4-5-14(11)15(18)19/h4-6,10,13H,3,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid is sourced from PubChem (CID 107907776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).