ethyl 2-[(4-chlorophenyl)methylamino]acetate

C11H14ClNO2 — CID 5212684

IUPACethyl 2-[(4-chlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyLDTGTJKHPGIRGV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.99
Rot. Bonds5

About ethyl 2-[(4-chlorophenyl)methylamino]acetate

ethyl 2-[(4-chlorophenyl)methylamino]acetate (PubChem CID 5212684) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)methylamino]acetate
PubChem CID5212684
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-[(4-chlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyLDTGTJKHPGIRGV-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)methylamino]acetate (CID 5212684) is ethyl 2-[(4-chlorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)methylamino]acetate is CCOC(=O)CNCc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)methylamino]acetate?
The InChIKey is LDTGTJKHPGIRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[(4-chlorophenyl)methylamino]acetate?
ethyl 2-[(4-chlorophenyl)methylamino]acetate has a molecular weight of 227.69 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)methylamino]acetate is sourced from PubChem (CID 5212684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).