methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate

C15H21NO3 — CID 79822269

IUPACmethyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cccc(C)c2)CCO1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-13(8-12)10-16-6-7-19-14(11-16)9-15(17)18-2/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeyFKQYXPSFXZVRRQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate (PubChem CID 79822269) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
PubChem CID79822269
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cccc(C)c2)CCO1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-13(8-12)10-16-6-7-19-14(11-16)9-15(17)18-2/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeyFKQYXPSFXZVRRQ-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
methyl 2-[(2S)-4-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)methyl]morpholin-2-yl]acetate
CID 99799285
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
CID 79764305
methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
CID 71861742
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245
1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol
CID 167949613
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate (CID 79822269) is methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2cccc(C)c2)CCO1.
What is the InChIKey of methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate?
The InChIKey is FKQYXPSFXZVRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-4-3-5-13(8-12)10-16-6-7-19-14(11-16)9-15(17)18-2/h3-5,8,14H,6-7,9-11H2,1-2H3.
What are the key properties of methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79822269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).