4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride

C12H19ClN2O — CID 3056078

IUPAC4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride
SMILESCCCN/C(=N\C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-4-9-14-12(13-2)10-5-7-11(15-3)8-6-10;/h5-8H,4,9H2,1-3H3,(H,13,14);1H
InChIKeyUMINTTZEYOVSQN-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.49
Rot. Bonds4

About 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride

4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride (PubChem CID 3056078) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride
PubChem CID3056078
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride
SMILESCCCN/C(=N\C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-4-9-14-12(13-2)10-5-7-11(15-3)8-6-10;/h5-8H,4,9H2,1-3H3,(H,13,14);1H
InChIKeyUMINTTZEYOVSQN-UHFFFAOYSA-N
XLogP2.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.49
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 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride (CID 3056078) is 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride is CCCN/C(=N\C)c1ccc(OC)cc1.Cl.
What is the InChIKey of 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride?
The InChIKey is UMINTTZEYOVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-4-9-14-12(13-2)10-5-7-11(15-3)8-6-10;/h5-8H,4,9H2,1-3H3,(H,13,14);1H.
What are the key properties of 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride?
4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-methyl-N-propylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3056078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).