methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate

C14H21NO2 — CID 115232994

IUPACmethyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-10-6-7-13(12(3)11(10)2)8-15(4)9-14(16)17-5/h6-7H,8-9H2,1-5H3
InChIKeySWVSSZVYHDGLAJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate

methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate (PubChem CID 115232994) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
PubChem CID115232994
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-10-6-7-13(12(3)11(10)2)8-15(4)9-14(16)17-5/h6-7H,8-9H2,1-5H3
InChIKeySWVSSZVYHDGLAJ-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382
methyl 3-(N,2,3,4-tetramethylanilino)propanoate
CID 115232358
methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 22196471
3-hydroxy-4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]butanoic acid
CID 115123086
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate (CID 115232994) is methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate is COC(=O)CN(C)Cc1ccc(C)c(C)c1C.
What is the InChIKey of methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate?
The InChIKey is SWVSSZVYHDGLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-7-13(12(3)11(10)2)8-15(4)9-14(16)17-5/h6-7H,8-9H2,1-5H3.
What are the key properties of methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate?
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate has a molecular weight of 235.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate is sourced from PubChem (CID 115232994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).