methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate

C12H17NO3 — CID 59419918

IUPACmethyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
SMILESCNCCc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-13-7-6-10-4-3-5-11(8-10)16-9-12(14)15-2/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyJXGRAFHKAODPNC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds6

About methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate

methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate (PubChem CID 59419918) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
PubChem CID59419918
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
SMILESCNCCc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-13-7-6-10-4-3-5-11(8-10)16-9-12(14)15-2/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyJXGRAFHKAODPNC-UHFFFAOYSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate (CID 59419918) is methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate is CNCCc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate?
The InChIKey is JXGRAFHKAODPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-7-6-10-4-3-5-11(8-10)16-9-12(14)15-2/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate?
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate is sourced from PubChem (CID 59419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).