methyl 2-[(2-ethylphenyl)methylamino]acetate

C12H17NO2 — CID 62390681

IUPACmethyl 2-[(2-ethylphenyl)methylamino]acetate
SMILESCCc1ccccc1CNCC(=O)OC
InChIInChI=1S/C12H17NO2/c1-3-10-6-4-5-7-11(10)8-13-9-12(14)15-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyAIMMFXHBXSNROE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds5

About methyl 2-[(2-ethylphenyl)methylamino]acetate

methyl 2-[(2-ethylphenyl)methylamino]acetate (PubChem CID 62390681) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-[(2-ethylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylphenyl)methylamino]acetate
PubChem CID62390681
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-[(2-ethylphenyl)methylamino]acetate
SMILESCCc1ccccc1CNCC(=O)OC
InChIInChI=1S/C12H17NO2/c1-3-10-6-4-5-7-11(10)8-13-9-12(14)15-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyAIMMFXHBXSNROE-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)methylamino]acetamide
CID 62392428
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
N-carbamoyl-2-[(2-ethylphenyl)methylamino]acetamide
CID 64681372
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
N-cyclopropyl-2-[(2-ethylphenyl)methylamino]-N-methylacetamide
CID 64680743
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
CID 78994150
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-ethylphenyl)methylamino]acetate (CID 62390681) is methyl 2-[(2-ethylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-ethylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-ethylphenyl)methylamino]acetate is CCc1ccccc1CNCC(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylphenyl)methylamino]acetate?
The InChIKey is AIMMFXHBXSNROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10-6-4-5-7-11(10)8-13-9-12(14)15-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[(2-ethylphenyl)methylamino]acetate?
methyl 2-[(2-ethylphenyl)methylamino]acetate has a molecular weight of 207.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylphenyl)methylamino]acetate is sourced from PubChem (CID 62390681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).