ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate

C14H21NO2 — CID 115257572

IUPACethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CCc1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)11-15(3)9-8-13-7-5-6-12(2)10-13/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyACONDZDJXLTVLI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds6

About ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate

ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate (PubChem CID 115257572) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
PubChem CID115257572
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CCc1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)11-15(3)9-8-13-7-5-6-12(2)10-13/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyACONDZDJXLTVLI-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

ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
methyl 4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoate
CID 115233522
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
2,2-dimethyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoic acid
CID 115136684
2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate (CID 115257572) is ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate is CCOC(=O)CN(C)CCc1cccc(C)c1.
What is the InChIKey of ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate?
The InChIKey is ACONDZDJXLTVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-14(16)11-15(3)9-8-13-7-5-6-12(2)10-13/h5-7,10H,4,8-9,11H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate?
ethyl 2-[methyl-[2-(3-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-(3-methylphenyl)ethyl]amino]acetate is sourced from PubChem (CID 115257572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).