methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate

C14H21NO4 — CID 115232990

IUPACmethyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(C)cc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-10-6-11(17-3)7-13(18-4)12(10)8-15(2)9-14(16)19-5/h6-7H,8-9H2,1-5H3
InChIKeyCCOINPXUNDMPMR-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.62
Rot. Bonds6

About methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate

methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate (PubChem CID 115232990) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
PubChem CID115232990
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(C)cc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-10-6-11(17-3)7-13(18-4)12(10)8-15(2)9-14(16)19-5/h6-7H,8-9H2,1-5H3
InChIKeyCCOINPXUNDMPMR-UHFFFAOYSA-N
XLogP1.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate
CID 143749579
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038494
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382
N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate (CID 115232990) is methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1c(C)cc(OC)cc1OC.
What is the InChIKey of methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate?
The InChIKey is CCOINPXUNDMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-6-11(17-3)7-13(18-4)12(10)8-15(2)9-14(16)19-5/h6-7H,8-9H2,1-5H3.
What are the key properties of methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate?
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate has a molecular weight of 267.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate is sourced from PubChem (CID 115232990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).