methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate

C12H16ClNO4 — CID 54931047

IUPACmethyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
SMILESCOC(=O)COc1c(Cl)cc(CCN)cc1OC
InChIInChI=1S/C12H16ClNO4/c1-16-10-6-8(3-4-14)5-9(13)12(10)18-7-11(15)17-2/h5-6H,3-4,7,14H2,1-2H3
InChIKeyILIHURDIGZDNDU-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.40
Rot. Bonds6

About methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate

methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate (PubChem CID 54931047) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
PubChem CID54931047
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
SMILESCOC(=O)COc1c(Cl)cc(CCN)cc1OC
InChIInChI=1S/C12H16ClNO4/c1-16-10-6-8(3-4-14)5-9(13)12(10)18-7-11(15)17-2/h5-6H,3-4,7,14H2,1-2H3
InChIKeyILIHURDIGZDNDU-UHFFFAOYSA-N
XLogP1.40
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(2-aminoethyl)-2-chloro-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-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate
CID 18620125
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
methyl 2-[2-chloro-6-methoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetate
CID 19644348
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
CID 55055676
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate (CID 54931047) is methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate is COC(=O)COc1c(Cl)cc(CCN)cc1OC.
What is the InChIKey of methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate?
The InChIKey is ILIHURDIGZDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-16-10-6-8(3-4-14)5-9(13)12(10)18-7-11(15)17-2/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate?
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate has a molecular weight of 273.72 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate is sourced from PubChem (CID 54931047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).