4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide

C15H22N2O2 — CID 106202148

IUPAC4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCC2CCC2)cc1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-12(5-6-13(14)15(16)17)10-19-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3,(H3,16,17)
InChIKeyFWYWFFNCLIYFBN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.69
Rot. Bonds7

About 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide

4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide (PubChem CID 106202148) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
PubChem CID106202148
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCC2CCC2)cc1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-12(5-6-13(14)15(16)17)10-19-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3,(H3,16,17)
InChIKeyFWYWFFNCLIYFBN-UHFFFAOYSA-N
XLogP2.69
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide
CID 106202137
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide (CID 106202148) is 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCCC2CCC2)cc1OC.
What is the InChIKey of 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide?
The InChIKey is FWYWFFNCLIYFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-14-9-12(5-6-13(14)15(16)17)10-19-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3,(H3,16,17).
What are the key properties of 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide?
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide has a molecular weight of 262.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106202148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).