3-methoxy-4-propoxybenzenecarboximidamide

C11H16N2O2 — CID 24709016

IUPAC3-methoxy-4-propoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC)c(OC)c1
InChIInChI=1S/C11H16N2O2/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3,(H3,12,13)
InChIKeyUUWRRYQMUCNKRK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.77
Rot. Bonds5

About 3-methoxy-4-propoxybenzenecarboximidamide

3-methoxy-4-propoxybenzenecarboximidamide (PubChem CID 24709016) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methoxy-4-propoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-4-propoxybenzenecarboximidamide
PubChem CID24709016
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-methoxy-4-propoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC)c(OC)c1
InChIInChI=1S/C11H16N2O2/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3,(H3,12,13)
InChIKeyUUWRRYQMUCNKRK-UHFFFAOYSA-N
XLogP1.77
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.77
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

4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
CID 24700707
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
CID 15340521
4-butoxy-3-methoxybenzamide
CID 47102628

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propoxybenzenecarboximidamide?
The IUPAC name of 3-methoxy-4-propoxybenzenecarboximidamide (CID 24709016) is 3-methoxy-4-propoxybenzenecarboximidamide.
What is the SMILES notation for 3-methoxy-4-propoxybenzenecarboximidamide?
The canonical SMILES for 3-methoxy-4-propoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCC)c(OC)c1.
What is the InChIKey of 3-methoxy-4-propoxybenzenecarboximidamide?
The InChIKey is UUWRRYQMUCNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3,(H3,12,13).
What are the key properties of 3-methoxy-4-propoxybenzenecarboximidamide?
3-methoxy-4-propoxybenzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propoxybenzenecarboximidamide is sourced from PubChem (CID 24709016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).