ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate

C14H21NO2 — CID 116961364

IUPACethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-6-17-14(16)13(15-5)12-8-7-9(2)10(3)11(12)4/h7-8,13,15H,6H2,1-5H3
InChIKeyWUQPKGCDYSFZTE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate

ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate (PubChem CID 116961364) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
PubChem CID116961364
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-6-17-14(16)13(15-5)12-8-7-9(2)10(3)11(12)4/h7-8,13,15H,6H2,1-5H3
InChIKeyWUQPKGCDYSFZTE-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
CID 116955940
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
methyl 2-(5-bromo-2-methylphenyl)-2-(methylamino)acetate
CID 116857044
ethyl 2,3,6-trimethylbenzoate
CID 13126297
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate
CID 60787061
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate?
The IUPAC name of ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate (CID 116961364) is ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate is CCOC(=O)C(NC)c1ccc(C)c(C)c1C.
What is the InChIKey of ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate?
The InChIKey is WUQPKGCDYSFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-17-14(16)13(15-5)12-8-7-9(2)10(3)11(12)4/h7-8,13,15H,6H2,1-5H3.
What are the key properties of ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate?
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate is sourced from PubChem (CID 116961364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).