methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate

C15H23NO3 — CID 115232995

IUPACmethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-10-7-14(18-5)12(3)11(2)13(10)8-16(4)9-15(17)19-6/h7H,8-9H2,1-6H3
InChIKeyZYADRMSBBXTCQL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate

methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate (PubChem CID 115232995) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
PubChem CID115232995
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-10-7-14(18-5)12(3)11(2)13(10)8-16(4)9-15(17)19-6/h7H,8-9H2,1-6H3
InChIKeyZYADRMSBBXTCQL-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]propanoic acid
CID 117041978
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
N-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194169
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
CID 115880448
2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845415
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate (CID 115232995) is methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1c(C)cc(OC)c(C)c1C.
What is the InChIKey of methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate?
The InChIKey is ZYADRMSBBXTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-7-14(18-5)12(3)11(2)13(10)8-16(4)9-15(17)19-6/h7H,8-9H2,1-6H3.
What are the key properties of methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate?
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate is sourced from PubChem (CID 115232995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).