methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate

C16H25NO2 — CID 43725782

IUPACmethyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H25NO2/c1-10-8-12(3)14(9-11(10)2)13(4)17-16(5,6)15(18)19-7/h8-9,13,17H,1-7H3
InChIKeyFRCPIMKNHQVWNH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds4

About methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate

methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate (PubChem CID 43725782) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
PubChem CID43725782
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H25NO2/c1-10-8-12(3)14(9-11(10)2)13(4)17-16(5,6)15(18)19-7/h8-9,13,17H,1-7H3
InChIKeyFRCPIMKNHQVWNH-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
CID 43726039
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
CID 43725802
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
CID 43726102
methyl 2-[1-(4-iodophenyl)ethylamino]-2-methylpropanoate
CID 43787152
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 115728760
methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
CID 43725995

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate (CID 43725782) is methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate is COC(=O)C(C)(C)NC(C)c1cc(C)c(C)cc1C.
What is the InChIKey of methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate?
The InChIKey is FRCPIMKNHQVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-8-12(3)14(9-11(10)2)13(4)17-16(5,6)15(18)19-7/h8-9,13,17H,1-7H3.
What are the key properties of methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate?
methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate is sourced from PubChem (CID 43725782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).