methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate

C14H18FNO3 — CID 115882746

IUPACmethyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc(F)cc2C)CCO1
InChIInChI=1S/C14H18FNO3/c1-10-7-12(15)4-3-11(10)8-16-5-6-19-13(9-16)14(17)18-2/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyNNMZTOLBHKIHKQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.51
Rot. Bonds3

About methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate

methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate (PubChem CID 115882746) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
PubChem CID115882746
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc(F)cc2C)CCO1
InChIInChI=1S/C14H18FNO3/c1-10-7-12(15)4-3-11(10)8-16-5-6-19-13(9-16)14(17)18-2/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyNNMZTOLBHKIHKQ-UHFFFAOYSA-N
XLogP1.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
CID 115533840
methyl 1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 113346201
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973
(4aS,8aS)-6-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 98895472
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate (CID 115882746) is methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2ccc(F)cc2C)CCO1.
What is the InChIKey of methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate?
The InChIKey is NNMZTOLBHKIHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-7-12(15)4-3-11(10)8-16-5-6-19-13(9-16)14(17)18-2/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate?
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 115882746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).