methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate

C14H21NO4 — CID 63950104

IUPACmethyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
SMILESCCNCc1ccc(OC)c(OCCC(=O)OC)c1
InChIInChI=1S/C14H21NO4/c1-4-15-10-11-5-6-12(17-2)13(9-11)19-8-7-14(16)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyFQCWQFBLLDLAOO-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.75
Rot. Bonds8

About methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate

methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate (PubChem CID 63950104) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
PubChem CID63950104
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
SMILESCCNCc1ccc(OC)c(OCCC(=O)OC)c1
InChIInChI=1S/C14H21NO4/c1-4-15-10-11-5-6-12(17-2)13(9-11)19-8-7-14(16)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyFQCWQFBLLDLAOO-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-bromo-4-(ethylaminomethyl)phenoxy]propanoate
CID 63948285
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727
methyl 3-(5-amino-2-methoxyphenoxy)propanoate
CID 63948668
methyl 3-[2-chloro-4-(propylaminomethyl)phenoxy]propanoate
CID 63949910
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate?
The IUPAC name of methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate (CID 63950104) is methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate.
What is the SMILES notation for methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate?
The canonical SMILES for methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate is CCNCc1ccc(OC)c(OCCC(=O)OC)c1.
What is the InChIKey of methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate?
The InChIKey is FQCWQFBLLDLAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-15-10-11-5-6-12(17-2)13(9-11)19-8-7-14(16)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate?
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate has a molecular weight of 267.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate is sourced from PubChem (CID 63950104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).