ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate

C14H20ClNO4 — CID 103292979

IUPACethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCc1c(Cl)cccc1OC
InChIInChI=1S/C14H20ClNO4/c1-3-20-14(17)10-19-8-7-16-9-11-12(15)5-4-6-13(11)18-2/h4-6,16H,3,7-10H2,1-2H3
InChIKeyVSDZIJGCSDAYGX-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.02
Rot. Bonds9

About ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate

ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate (PubChem CID 103292979) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
PubChem CID103292979
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCc1c(Cl)cccc1OC
InChIInChI=1S/C14H20ClNO4/c1-3-20-14(17)10-19-8-7-16-9-11-12(15)5-4-6-13(11)18-2/h4-6,16H,3,7-10H2,1-2H3
InChIKeyVSDZIJGCSDAYGX-UHFFFAOYSA-N
XLogP2.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
ethyl 2-[2-[(2-chlorophenyl)methylamino]ethoxy]acetate
CID 103232927
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
CID 103292702
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate (CID 103292979) is ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate is CCOC(=O)COCCNCc1c(Cl)cccc1OC.
What is the InChIKey of ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate?
The InChIKey is VSDZIJGCSDAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-3-20-14(17)10-19-8-7-16-9-11-12(15)5-4-6-13(11)18-2/h4-6,16H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate?
ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate has a molecular weight of 301.77 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate is sourced from PubChem (CID 103292979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).