methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate

C14H21NO4 — CID 116955433

IUPACmethyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C14H21NO4/c1-9-6-13(18-4)10(7-12(9)17-3)11(15-2)8-14(16)19-5/h6-7,11,15H,8H2,1-5H3
InChIKeyWBTMCCMUMJLPEB-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.84
Rot. Bonds6

About methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate

methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate (PubChem CID 116955433) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
PubChem CID116955433
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C14H21NO4/c1-9-6-13(18-4)10(7-12(9)17-3)11(15-2)8-14(16)19-5/h6-7,11,15H,8H2,1-5H3
InChIKeyWBTMCCMUMJLPEB-UHFFFAOYSA-N
XLogP1.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
CID 112509425
methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
CID 115350139
2-(2,5-dimethoxy-4-methylphenyl)-N'-methylpropanehydrazide
CID 116847044
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate (CID 116955433) is methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate is CNC(CC(=O)OC)c1cc(OC)c(C)cc1OC.
What is the InChIKey of methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate?
The InChIKey is WBTMCCMUMJLPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-6-13(18-4)10(7-12(9)17-3)11(15-2)8-14(16)19-5/h6-7,11,15H,8H2,1-5H3.
What are the key properties of methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate?
methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate has a molecular weight of 267.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate is sourced from PubChem (CID 116955433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).