ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride

C11H14Cl3NO2 — CID 44512722

IUPACethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(C)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO2.ClH/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13;/h4-7,14H,3H2,1-2H3;1H/b14-11-;
InChIKeyFCVMHDGLXDEAPO-IRIIKGHASA-N
MW298.60 g/mol
LogP4.20
Rot. Bonds4

About ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride

ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride (PubChem CID 44512722) has the molecular formula C11H14Cl3NO2 and a molecular weight of 298.60 g/mol. Its IUPAC name is ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride
PubChem CID44512722
Molecular FormulaC11H14Cl3NO2
Molecular Weight298.60 g/mol
Exact Mass297.01
IUPAC Nameethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(C)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO2.ClH/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13;/h4-7,14H,3H2,1-2H3;1H/b14-11-;
InChIKeyFCVMHDGLXDEAPO-IRIIKGHASA-N
XLogP4.20
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride?
The IUPAC name of ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride (CID 44512722) is ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride?
The canonical SMILES for ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride is Cl.[H]/N=C(\OCC)C(C)Oc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride?
The InChIKey is FCVMHDGLXDEAPO-IRIIKGHASA-N. The full InChI is InChI=1S/C11H13Cl2NO2.ClH/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13;/h4-7,14H,3H2,1-2H3;1H/b14-11-;.
What are the key properties of ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride?
ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride has a molecular weight of 298.60 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichlorophenoxy)propanimidate;hydrochloride is sourced from PubChem (CID 44512722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).