methyl 2-[3-(ethylaminomethyl)phenoxy]acetate

C12H17NO3 — CID 60882225

IUPACmethyl 2-[3-(ethylaminomethyl)phenoxy]acetate
SMILESCCNCc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-3-13-8-10-5-4-6-11(7-10)16-9-12(14)15-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyXBDFXNSLHLSDFF-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds6

About methyl 2-[3-(ethylaminomethyl)phenoxy]acetate

methyl 2-[3-(ethylaminomethyl)phenoxy]acetate (PubChem CID 60882225) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[3-(ethylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(ethylaminomethyl)phenoxy]acetate
PubChem CID60882225
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[3-(ethylaminomethyl)phenoxy]acetate
SMILESCCNCc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C12H17NO3/c1-3-13-8-10-5-4-6-11(7-10)16-9-12(14)15-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyXBDFXNSLHLSDFF-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(ethylaminomethyl)phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenoxy]acetate
CID 54144555
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(ethylaminomethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(ethylaminomethyl)phenoxy]acetate (CID 60882225) is methyl 2-[3-(ethylaminomethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(ethylaminomethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(ethylaminomethyl)phenoxy]acetate is CCNCc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-(ethylaminomethyl)phenoxy]acetate?
The InChIKey is XBDFXNSLHLSDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-13-8-10-5-4-6-11(7-10)16-9-12(14)15-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[3-(ethylaminomethyl)phenoxy]acetate?
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(ethylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 60882225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).