methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate

C15H23NO2 — CID 60670466

IUPACmethyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)13-8-6-12(7-9-13)10-16(4)11-14(17)18-5/h6-9H,10-11H2,1-5H3
InChIKeyWVYOEUQCYCCNML-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate

methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate (PubChem CID 60670466) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
PubChem CID60670466
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)13-8-6-12(7-9-13)10-16(4)11-14(17)18-5/h6-9H,10-11H2,1-5H3
InChIKeyWVYOEUQCYCCNML-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
CID 126761416
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
CID 18333896
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
CID 18333926
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
CID 61067990
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate (CID 60670466) is methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate?
The InChIKey is WVYOEUQCYCCNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)13-8-6-12(7-9-13)10-16(4)11-14(17)18-5/h6-9H,10-11H2,1-5H3.
What are the key properties of methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate?
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate has a molecular weight of 249.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate is sourced from PubChem (CID 60670466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).