methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate

C16H23NO3 — CID 79822519

IUPACmethyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cc(C)ccc2C)CCO1
InChIInChI=1S/C16H23NO3/c1-12-4-5-13(2)14(8-12)10-17-6-7-20-15(11-17)9-16(18)19-3/h4-5,8,15H,6-7,9-11H2,1-3H3
InChIKeySOJLQPHEILHCNJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate (PubChem CID 79822519) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
PubChem CID79822519
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cc(C)ccc2C)CCO1
InChIInChI=1S/C16H23NO3/c1-12-4-5-13(2)14(8-12)10-17-6-7-20-15(11-17)9-16(18)19-3/h4-5,8,15H,6-7,9-11H2,1-3H3
InChIKeySOJLQPHEILHCNJ-UHFFFAOYSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
4-[(2,5-dimethylphenyl)methyl]morpholine-2-carbothioamide
CID 79681213
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 106865290
methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate (CID 79822519) is methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2cc(C)ccc2C)CCO1.
What is the InChIKey of methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate?
The InChIKey is SOJLQPHEILHCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-4-5-13(2)14(8-12)10-17-6-7-20-15(11-17)9-16(18)19-3/h4-5,8,15H,6-7,9-11H2,1-3H3.
What are the key properties of methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79822519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).