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

C16H22FNO3 — CID 103749215

IUPACmethyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
SMILESCCC1COC(C)CN1Cc1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C16H22FNO3/c1-4-13-10-21-11(2)8-18(13)9-12-5-6-14(15(17)7-12)16(19)20-3/h5-7,11,13H,4,8-10H2,1-3H3
InChIKeyHQCKNPBJRBKMEL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.61
Rot. Bonds4

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

methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate (PubChem CID 103749215) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
PubChem CID103749215
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Namemethyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
SMILESCCC1COC(C)CN1Cc1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C16H22FNO3/c1-4-13-10-21-11(2)8-18(13)9-12-5-6-14(15(17)7-12)16(19)20-3/h5-7,11,13H,4,8-10H2,1-3H3
InChIKeyHQCKNPBJRBKMEL-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate 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

methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879237
methyl 4-[(2,5-dimethylpiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749510
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
CID 60690951
methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 104824362
methyl 4-[(2-cyanomorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749404
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate (CID 103749215) is methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate is CCC1COC(C)CN1Cc1ccc(C(=O)OC)c(F)c1.
What is the InChIKey of methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate?
The InChIKey is HQCKNPBJRBKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-4-13-10-21-11(2)8-18(13)9-12-5-6-14(15(17)7-12)16(19)20-3/h5-7,11,13H,4,8-10H2,1-3H3.
What are the key properties of methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate?
methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate has a molecular weight of 295.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate is sourced from PubChem (CID 103749215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).