N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride

C11H17ClN2O — CID 3049218

IUPACN-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride
SMILESCCN/C(=N\C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-4-13-11(12-2)9-5-7-10(14-3)8-6-9;/h5-8H,4H2,1-3H3,(H,12,13);1H
InChIKeyCLKHMQIDNGMOLB-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.10
Rot. Bonds3

About N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride

N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride (PubChem CID 3049218) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride
PubChem CID3049218
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride
SMILESCCN/C(=N\C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-4-13-11(12-2)9-5-7-10(14-3)8-6-9;/h5-8H,4H2,1-3H3,(H,12,13);1H
InChIKeyCLKHMQIDNGMOLB-UHFFFAOYSA-N
XLogP2.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.10
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 N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride (CID 3049218) is N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride is CCN/C(=N\C)c1ccc(OC)cc1.Cl.
What is the InChIKey of N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is CLKHMQIDNGMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-4-13-11(12-2)9-5-7-10(14-3)8-6-9;/h5-8H,4H2,1-3H3,(H,12,13);1H.
What are the key properties of N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride?
N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N'-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3049218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).