methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate

C14H21NO2 — CID 116857090

IUPACmethyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
SMILESCOC(=O)C(c1c(C)cc(C)cc1C)N(C)C
InChIInChI=1S/C14H21NO2/c1-9-7-10(2)12(11(3)8-9)13(15(4)5)14(16)17-6/h7-8,13H,1-6H3
InChIKeyJRTMVQPJDVNYAK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate

methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate (PubChem CID 116857090) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
PubChem CID116857090
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
SMILESCOC(=O)C(c1c(C)cc(C)cc1C)N(C)C
InChIInChI=1S/C14H21NO2/c1-9-7-10(2)12(11(3)8-9)13(15(4)5)14(16)17-6/h7-8,13H,1-6H3
InChIKeyJRTMVQPJDVNYAK-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
CID 2786932
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
methyl 2-[amino-(2,4,6-trimethylphenyl)methyl]butanoate
CID 116945983
methyl 3-amino-4-hydroxy-4-(2,4,6-trimethylphenyl)butanoate
CID 82348930
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
methyl 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 116857149
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
methyl 3-(2,4,6-trimethylphenyl)hexanoate
CID 112508703
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate (CID 116857090) is methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate is COC(=O)C(c1c(C)cc(C)cc1C)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is JRTMVQPJDVNYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-7-10(2)12(11(3)8-9)13(15(4)5)14(16)17-6/h7-8,13H,1-6H3.
What are the key properties of methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate?
methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 116857090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).