ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate

C13H17ClN2O2 — CID 141269732

IUPACethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate
SMILESCCOC(=O)C(=NCN(C)C)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-4-18-13(17)12(15-9-16(2)3)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3
InChIKeyWPDXWMJVTKUWRA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate

ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate (PubChem CID 141269732) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate
PubChem CID141269732
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Nameethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate
SMILESCCOC(=O)C(=NCN(C)C)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-4-18-13(17)12(15-9-16(2)3)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3
InChIKeyWPDXWMJVTKUWRA-UHFFFAOYSA-N
XLogP2.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-bromo-3-(2-chlorophenyl)-2-isocyanoprop-2-enoate
CID 87782683
ethyl (Z)-4,4,4-trichloro-2-(2-chlorobenzoyl)but-2-enoate
CID 15457856
ethyl (E)-2-[(4-bromophenyl)iminomethyl]-3-(2-chlorophenyl)-3-hydroxyprop-2-enoate
CID 135467083
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
ethyl 4-(2-chlorophenyl)-4-oxobutanoate
CID 24727758
ethyl (E)-2-(2-chlorophenyl)-4-phenylbut-2-enoate
CID 177411862
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
ethyl 5-(2-chlorophenyl)-2,4-dioxopentanoate
CID 155753652
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
CID 15075008
ethyl 3-bromo-3-(2-chlorophenyl)-2-oxopropanoate
CID 22437394
ethyl (E)-2-(2-chlorophenyl)-3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enoate
CID 71817481
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate (CID 141269732) is ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate is CCOC(=O)C(=NCN(C)C)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate?
The InChIKey is WPDXWMJVTKUWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-18-13(17)12(15-9-16(2)3)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate?
ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate has a molecular weight of 268.74 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-2-[(dimethylamino)methylimino]acetate is sourced from PubChem (CID 141269732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).