ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride

C11H16ClNO — CID 13430814

IUPACethyl 2-(4-methylphenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc(C)cc1)OCC
InChIInChI=1S/C11H15NO.ClH/c1-3-13-11(12)8-10-6-4-9(2)5-7-10;/h4-7,12H,3,8H2,1-2H3;1H/b12-11-;
InChIKeyUDEOSGDHVZXCOS-AFEZEDKISA-N
MW213.71 g/mol
LogP2.97
Rot. Bonds3

About ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride

ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride (PubChem CID 13430814) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)ethanimidate;hydrochloride
PubChem CID13430814
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Nameethyl 2-(4-methylphenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc(C)cc1)OCC
InChIInChI=1S/C11H15NO.ClH/c1-3-13-11(12)8-10-6-4-9(2)5-7-10;/h4-7,12H,3,8H2,1-2H3;1H/b12-11-;
InChIKeyUDEOSGDHVZXCOS-AFEZEDKISA-N
XLogP2.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methylphenyl)ethanimidate;hydrochloride?
The IUPAC name of ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride (CID 13430814) is ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1ccc(C)cc1)OCC.
What is the InChIKey of ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride?
The InChIKey is UDEOSGDHVZXCOS-AFEZEDKISA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-3-13-11(12)8-10-6-4-9(2)5-7-10;/h4-7,12H,3,8H2,1-2H3;1H/b12-11-;.
What are the key properties of ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride?
ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)ethanimidate;hydrochloride is sourced from PubChem (CID 13430814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).