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

C11H13Cl2NO2 — CID 60787061

IUPACethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-3-16-11(15)10(14-2)7-4-8(12)6-9(13)5-7/h4-6,10,14H,3H2,1-2H3
InChIKeyLPZZIKJHCZKCMR-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.82
Rot. Bonds4

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

ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate (PubChem CID 60787061) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate
PubChem CID60787061
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Nameethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-3-16-11(15)10(14-2)7-4-8(12)6-9(13)5-7/h4-6,10,14H,3H2,1-2H3
InChIKeyLPZZIKJHCZKCMR-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide
CID 130785554
ethyl 2-(3-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 114453696
ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117329427
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
ethyl 2-(ethylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147745
ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate?
The IUPAC name of ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate (CID 60787061) is ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate.
What is the SMILES notation for ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate?
The canonical SMILES for ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate is CCOC(=O)C(NC)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate?
The InChIKey is LPZZIKJHCZKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-16-11(15)10(14-2)7-4-8(12)6-9(13)5-7/h4-6,10,14H,3H2,1-2H3.
What are the key properties of ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate?
ethyl 2-(3,5-dichlorophenyl)-2-(methylamino)acetate has a molecular weight of 262.14 g/mol, XLogP of 2.82, 4 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)-2-(methylamino)acetate is sourced from PubChem (CID 60787061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).