methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate

C14H18FNO3 — CID 115970488

IUPACmethyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1cc(F)ccc1C
InChIInChI=1S/C14H18FNO3/c1-10-3-4-12(15)7-11(10)8-16-5-6-19-9-13(16)14(17)18-2/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyHXFOSMRCCSMIJH-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.51
Rot. Bonds3

About methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate

methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate (PubChem CID 115970488) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
PubChem CID115970488
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1cc(F)ccc1C
InChIInChI=1S/C14H18FNO3/c1-10-3-4-12(15)7-11(10)8-16-5-6-19-9-13(16)14(17)18-2/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyHXFOSMRCCSMIJH-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 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(3-cyano-5-fluorophenyl)methyl]morpholine-3-carboxylate
CID 104775050
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate (CID 115970488) is methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1cc(F)ccc1C.
What is the InChIKey of methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate?
The InChIKey is HXFOSMRCCSMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-3-4-12(15)7-11(10)8-16-5-6-19-9-13(16)14(17)18-2/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate?
methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-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-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 115970488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).