ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate

C14H21NO2 — CID 115257571

IUPACethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CCc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)11-15(3)10-9-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3
InChIKeyUDFWYCNRHJYJNR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds6

About ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate

ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate (PubChem CID 115257571) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
PubChem CID115257571
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CCc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)11-15(3)10-9-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3
InChIKeyUDFWYCNRHJYJNR-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115257572
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ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
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ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
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CID 43910778

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate (CID 115257571) is ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate is CCOC(=O)CN(C)CCc1ccccc1C.
What is the InChIKey of ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate?
The InChIKey is UDFWYCNRHJYJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-14(16)11-15(3)10-9-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate?
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate has a molecular weight of 235.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate is sourced from PubChem (CID 115257571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).