methyl 2-[2-(4-chlorophenyl)ethylamino]acetate

C11H14ClNO2 — CID 54033204

IUPACmethyl 2-[2-(4-chlorophenyl)ethylamino]acetate
SMILESCOC(=O)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-15-11(14)8-13-7-6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
InChIKeyLHBQIZIGZSAPOU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-[2-(4-chlorophenyl)ethylamino]acetate

methyl 2-[2-(4-chlorophenyl)ethylamino]acetate (PubChem CID 54033204) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)ethylamino]acetate
PubChem CID54033204
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-[2-(4-chlorophenyl)ethylamino]acetate
SMILESCOC(=O)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-15-11(14)8-13-7-6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
InChIKeyLHBQIZIGZSAPOU-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
CID 165487144
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
CID 115233033
2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone
CID 110823596
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
methyl 2-[[2-(4-chlorophenyl)ethylamino]methyl]butanoate
CID 115253212
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)ethylamino]acetate (CID 54033204) is methyl 2-[2-(4-chlorophenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)ethylamino]acetate is COC(=O)CNCCc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)ethylamino]acetate?
The InChIKey is LHBQIZIGZSAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-15-11(14)8-13-7-6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3.
What are the key properties of methyl 2-[2-(4-chlorophenyl)ethylamino]acetate?
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate has a molecular weight of 227.69 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)ethylamino]acetate is sourced from PubChem (CID 54033204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).