ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate

C15H23NO4 — CID 64669906

IUPACethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1cc(CNC)ccc1OC
InChIInChI=1S/C15H23NO4/c1-5-12(15(17)19-6-2)20-14-9-11(10-16-3)7-8-13(14)18-4/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyADMMCCUTUALCHB-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds8

About ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate

ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate (PubChem CID 64669906) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
PubChem CID64669906
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1cc(CNC)ccc1OC
InChIInChI=1S/C15H23NO4/c1-5-12(15(17)19-6-2)20-14-9-11(10-16-3)7-8-13(14)18-4/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyADMMCCUTUALCHB-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
ethyl 2-[4-(methylaminomethyl)-2-nitrophenoxy]butanoate
CID 64667305
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
ethyl 2-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]butanoate
CID 64668917
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
2-[4-(methylaminomethyl)phenoxy]butanamide
CID 62900383
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate?
The IUPAC name of ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate (CID 64669906) is ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate is CCOC(=O)C(CC)Oc1cc(CNC)ccc1OC.
What is the InChIKey of ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate?
The InChIKey is ADMMCCUTUALCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-12(15(17)19-6-2)20-14-9-11(10-16-3)7-8-13(14)18-4/h7-9,12,16H,5-6,10H2,1-4H3.
What are the key properties of ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate?
ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate has a molecular weight of 281.35 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate is sourced from PubChem (CID 64669906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).