methyl 2-[(3,5-dimethylphenyl)methylamino]acetate

C12H17NO2 — CID 60687760

IUPACmethyl 2-[(3,5-dimethylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(C)cc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-10(2)6-11(5-9)7-13-8-12(14)15-3/h4-6,13H,7-8H2,1-3H3
InChIKeyFELMFCWFNQJQIA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[(3,5-dimethylphenyl)methylamino]acetate

methyl 2-[(3,5-dimethylphenyl)methylamino]acetate (PubChem CID 60687760) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethylphenyl)methylamino]acetate
PubChem CID60687760
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-[(3,5-dimethylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(C)cc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-10(2)6-11(5-9)7-13-8-12(14)15-3/h4-6,13H,7-8H2,1-3H3
InChIKeyFELMFCWFNQJQIA-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-bromo-5-methylphenyl)methylamino]acetate
CID 176676852
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
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methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
CID 43646902
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145
ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
CID 23052527
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
4-methylbenzenesulfonic acid;methyl 2-(benzylamino)acetate
CID 175384581
methyl 2-fluoro-4-[[(2-methoxy-2-oxoethyl)amino]methyl]benzoate
CID 106699486
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859
methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
CID 60904477

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(3,5-dimethylphenyl)methylamino]acetate (CID 60687760) is methyl 2-[(3,5-dimethylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dimethylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(3,5-dimethylphenyl)methylamino]acetate is COC(=O)CNCc1cc(C)cc(C)c1.
What is the InChIKey of methyl 2-[(3,5-dimethylphenyl)methylamino]acetate?
The InChIKey is FELMFCWFNQJQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-10(2)6-11(5-9)7-13-8-12(14)15-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of methyl 2-[(3,5-dimethylphenyl)methylamino]acetate?
methyl 2-[(3,5-dimethylphenyl)methylamino]acetate has a molecular weight of 207.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethylphenyl)methylamino]acetate is sourced from PubChem (CID 60687760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).