methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate

C15H23NO2 — CID 115128462

IUPACmethyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23NO2/c1-11-7-8-12(2)13(9-11)10-16(5)15(3,4)14(17)18-6/h7-9H,10H2,1-6H3
InChIKeyTXJURFSGSSVLGR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate

methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate (PubChem CID 115128462) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
PubChem CID115128462
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23NO2/c1-11-7-8-12(2)13(9-11)10-16(5)15(3,4)14(17)18-6/h7-9H,10H2,1-6H3
InChIKeyTXJURFSGSSVLGR-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128471
methyl 3-(2,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116927517
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxoacetate
CID 115142441
2-[(2-hydroxy-5-methylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65061038
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128131
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
CID 63469902
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
diethyl 2-[(2,5-dimethylphenyl)methyl]-2-methylpropanedioate
CID 103972624

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate (CID 115128462) is methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)Cc1cc(C)ccc1C.
What is the InChIKey of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is TXJURFSGSSVLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-7-8-12(2)13(9-11)10-16(5)15(3,4)14(17)18-6/h7-9H,10H2,1-6H3.
What are the key properties of methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate?
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 249.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).