ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate

C14H20ClNO4 — CID 60879110

IUPACethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
SMILESCCNCc1cc(Cl)c(OCC(=O)OCC)c(OC)c1
InChIInChI=1S/C14H20ClNO4/c1-4-16-8-10-6-11(15)14(12(7-10)18-3)20-9-13(17)19-5-2/h6-7,16H,4-5,8-9H2,1-3H3
InChIKeyKLJQVWBTXVFDNY-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.40
Rot. Bonds8

About ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate

ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate (PubChem CID 60879110) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
PubChem CID60879110
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
SMILESCCNCc1cc(Cl)c(OCC(=O)OCC)c(OC)c1
InChIInChI=1S/C14H20ClNO4/c1-4-16-8-10-6-11(15)14(12(7-10)18-3)20-9-13(17)19-5-2/h6-7,16H,4-5,8-9H2,1-3H3
InChIKeyKLJQVWBTXVFDNY-UHFFFAOYSA-N
XLogP2.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]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

2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43276554
ethyl 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetate
CID 107742173
ethyl 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butanoate
CID 64579502
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
CID 23052527
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
N'-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215592
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate (CID 60879110) is ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate is CCNCc1cc(Cl)c(OCC(=O)OCC)c(OC)c1.
What is the InChIKey of ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate?
The InChIKey is KLJQVWBTXVFDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-4-16-8-10-6-11(15)14(12(7-10)18-3)20-9-13(17)19-5-2/h6-7,16H,4-5,8-9H2,1-3H3.
What are the key properties of ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate?
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate has a molecular weight of 301.77 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate is sourced from PubChem (CID 60879110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).