methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate

C14H19NO3 — CID 176562995

IUPACmethyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
SMILESCOC(=O)c1cc(C)c(C2CNCCO2)cc1C
InChIInChI=1S/C14H19NO3/c1-9-7-12(14(16)17-3)10(2)6-11(9)13-8-15-4-5-18-13/h6-7,13,15H,4-5,8H2,1-3H3
InChIKeyZBVYAAGLJOSOFC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.75
Rot. Bonds2

About methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate

methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate (PubChem CID 176562995) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
PubChem CID176562995
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
SMILESCOC(=O)c1cc(C)c(C2CNCCO2)cc1C
InChIInChI=1S/C14H19NO3/c1-9-7-12(14(16)17-3)10(2)6-11(9)13-8-15-4-5-18-13/h6-7,13,15H,4-5,8H2,1-3H3
InChIKeyZBVYAAGLJOSOFC-UHFFFAOYSA-N
XLogP1.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate 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 2,3-dimethyl-5-morpholin-2-ylbenzoate
CID 117376101
methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate
CID 117421318
methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
CID 117390616
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(4-ethoxy-2,5-dimethylphenyl)morpholine
CID 82116655
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
3-methyl-4-morpholin-2-ylphenol
CID 67032452
ethyl 2,5-dimethyl-4-[(2R,5R)-5-methylmorpholin-2-yl]benzoate
CID 176562196

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate?
The IUPAC name of methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate (CID 176562995) is methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate.
What is the SMILES notation for methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate?
The canonical SMILES for methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate is COC(=O)c1cc(C)c(C2CNCCO2)cc1C.
What is the InChIKey of methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate?
The InChIKey is ZBVYAAGLJOSOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-7-12(14(16)17-3)10(2)6-11(9)13-8-15-4-5-18-13/h6-7,13,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate?
methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate has a molecular weight of 249.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate is sourced from PubChem (CID 176562995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).