4-methyl-2-propoxybenzenecarboximidamide;hydrochloride

C11H17ClN2O — CID 21250746

IUPAC4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(C)cc1OCCC
InChIInChI=1S/C11H16N2O.ClH/c1-3-6-14-10-7-8(2)4-5-9(10)11(12)13;/h4-5,7H,3,6H2,1-2H3,(H3,12,13);1H
InChIKeyKLGYOKQZFDEZKX-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride

4-methyl-2-propoxybenzenecarboximidamide;hydrochloride (PubChem CID 21250746) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
PubChem CID21250746
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(C)cc1OCCC
InChIInChI=1S/C11H16N2O.ClH/c1-3-6-14-10-7-8(2)4-5-9(10)11(12)13;/h4-5,7H,3,6H2,1-2H3,(H3,12,13);1H
InChIKeyKLGYOKQZFDEZKX-UHFFFAOYSA-N
XLogP2.49
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.49
H-Bond Donors ≤ 52
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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Related Compounds

4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 62306797
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride (CID 21250746) is 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(C)cc1OCCC.
What is the InChIKey of 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride?
The InChIKey is KLGYOKQZFDEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-3-6-14-10-7-8(2)4-5-9(10)11(12)13;/h4-5,7H,3,6H2,1-2H3,(H3,12,13);1H.
What are the key properties of 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride?
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 21250746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).