ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate

C14H21NO3 — CID 94157373

IUPACethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)10-15(3)11(2)12-8-6-7-9-13(12)17-4/h6-9,11H,5,10H2,1-4H3/t11-/m1/s1
InChIKeyDWMQUNYHNXSZPK-LLVKDONJSA-N
MW251.33 g/mol
LogP2.25
Rot. Bonds6

About ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate

ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate (PubChem CID 94157373) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
PubChem CID94157373
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)10-15(3)11(2)12-8-6-7-9-13(12)17-4/h6-9,11H,5,10H2,1-4H3/t11-/m1/s1
InChIKeyDWMQUNYHNXSZPK-LLVKDONJSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
ethyl 2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46482700
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
ethyl 4,4,4-trifluoro-3-(2-methoxyphenyl)butanoate
CID 177219164
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpropanamide
CID 62853456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate (CID 94157373) is ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate is CCOC(=O)CN(C)[C@H](C)c1ccccc1OC.
What is the InChIKey of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate?
The InChIKey is DWMQUNYHNXSZPK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-14(16)10-15(3)11(2)12-8-6-7-9-13(12)17-4/h6-9,11H,5,10H2,1-4H3/t11-/m1/s1.
What are the key properties of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate?
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate is sourced from PubChem (CID 94157373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).