ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate

C11H13Cl2NO2 — CID 60811234

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

About ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate

ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate (PubChem CID 60811234) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
PubChem CID60811234
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Nameethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-2-16-11(15)7-14-6-8-3-9(12)5-10(13)4-8/h3-5,14H,2,6-7H2,1H3
InChIKeyKEJOQRNEDMVIFP-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-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
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ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
CID 23052527
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
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CID 65021849
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
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CID 22569795
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
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ethyl 2-[(4-bromo-3-methylphenyl)methylamino]acetate
CID 66474260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate (CID 60811234) is ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate is CCOC(=O)CNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate?
The InChIKey is KEJOQRNEDMVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-2-16-11(15)7-14-6-8-3-9(12)5-10(13)4-8/h3-5,14H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate?
ethyl 2-[(3,5-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-[(3,5-dichlorophenyl)methylamino]acetate is sourced from PubChem (CID 60811234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).