methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate

C13H15Cl2NO3 — CID 113346045

IUPACmethyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C13H15Cl2NO3/c1-18-13(17)11-8-16(5-6-19-11)7-9-3-2-4-10(14)12(9)15/h2-4,11H,5-8H2,1H3
InChIKeyGCZQZKGOCDMLJH-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.37
Rot. Bonds3

About methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate

methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate (PubChem CID 113346045) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
PubChem CID113346045
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Namemethyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C13H15Cl2NO3/c1-18-13(17)11-8-16(5-6-19-11)7-9-3-2-4-10(14)12(9)15/h2-4,11H,5-8H2,1H3
InChIKeyGCZQZKGOCDMLJH-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate 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 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
methyl (2R)-4-[[1-[(2-cyanophenyl)methyl]pyrrol-2-yl]methyl]morpholine-2-carboxylate
CID 99823653
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate (CID 113346045) is methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate?
The InChIKey is GCZQZKGOCDMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-18-13(17)11-8-16(5-6-19-11)7-9-3-2-4-10(14)12(9)15/h2-4,11H,5-8H2,1H3.
What are the key properties of methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate?
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate has a molecular weight of 304.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 113346045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).