4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride

C11H17ClN2O2 — CID 21250754

IUPAC4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OC)cc1OCCC
InChIInChI=1S/C11H16N2O2.ClH/c1-3-6-15-10-7-8(14-2)4-5-9(10)11(12)13;/h4-5,7H,3,6H2,1-2H3,(H3,12,13);1H
InChIKeyAKNWSLXKLMPDPP-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.19
Rot. Bonds5

About 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride

4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride (PubChem CID 21250754) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
PubChem CID21250754
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OC)cc1OCCC
InChIInChI=1S/C11H16N2O2.ClH/c1-3-6-15-10-7-8(14-2)4-5-9(10)11(12)13;/h4-5,7H,3,6H2,1-2H3,(H3,12,13);1H
InChIKeyAKNWSLXKLMPDPP-UHFFFAOYSA-N
XLogP2.19
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.19
H-Bond Donors ≤ 52
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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Related Compounds

2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
2,4-dimethoxybenzenecarboximidamide
CID 4138242
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-methoxy-2-octan-2-yloxybenzenecarboximidamide
CID 81303227
ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
CID 22721088
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-methoxy-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 81303141

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride (CID 21250754) is 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OC)cc1OCCC.
What is the InChIKey of 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride?
The InChIKey is AKNWSLXKLMPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-3-6-15-10-7-8(14-2)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-methoxy-2-propoxybenzenecarboximidamide;hydrochloride?
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 21250754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).