ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate

C14H21NO3 — CID 60923273

IUPACethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
SMILESCCOCc1ccccc1CNCC(=O)OCC
InChIInChI=1S/C14H21NO3/c1-3-17-11-13-8-6-5-7-12(13)9-15-10-14(16)18-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeySNCHURDOQQLSRV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate

ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate (PubChem CID 60923273) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
PubChem CID60923273
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
SMILESCCOCc1ccccc1CNCC(=O)OCC
InChIInChI=1S/C14H21NO3/c1-3-17-11-13-8-6-5-7-12(13)9-15-10-14(16)18-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeySNCHURDOQQLSRV-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide
CID 60976720
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
CID 103240297
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60976872
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
ethyl 2-(quinolin-4-ylmethylamino)acetate
CID 55251513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate (CID 60923273) is ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate is CCOCc1ccccc1CNCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate?
The InChIKey is SNCHURDOQQLSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-17-11-13-8-6-5-7-12(13)9-15-10-14(16)18-4-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate?
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate is sourced from PubChem (CID 60923273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).