ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate

C11H13Cl2NO2 — CID 65315908

IUPACethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-2-16-11(15)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,14H,2,6-7H2,1H3
InChIKeyGKEUGOIUAKRZDP-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate

ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate (PubChem CID 65315908) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
PubChem CID65315908
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Nameethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-2-16-11(15)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,14H,2,6-7H2,1H3
InChIKeyGKEUGOIUAKRZDP-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616826
ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
CID 178141792
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
methyl 2-bromo-3-[(2,5-dichlorophenyl)methylamino]propanoate
CID 103492200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate (CID 65315908) is ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate is CCOC(=O)CNCc1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate?
The InChIKey is GKEUGOIUAKRZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-2-16-11(15)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,14H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate?
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate has a molecular weight of 262.14 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate is sourced from PubChem (CID 65315908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).