2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide

C14H22N2O2 — CID 106791408

IUPAC2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC(C)CCC)cc1OC
InChIInChI=1S/C14H22N2O2/c1-4-5-10(2)18-9-11-6-7-12(14(15)16)13(8-11)17-3/h6-8,10H,4-5,9H2,1-3H3,(H3,15,16)
InChIKeyMZEXWYKQWBQUFX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds7

About 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide

2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide (PubChem CID 106791408) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
PubChem CID106791408
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC(C)CCC)cc1OC
InChIInChI=1S/C14H22N2O2/c1-4-5-10(2)18-9-11-6-7-12(14(15)16)13(8-11)17-3/h6-8,10H,4-5,9H2,1-3H3,(H3,15,16)
InChIKeyMZEXWYKQWBQUFX-UHFFFAOYSA-N
XLogP2.68
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
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-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693
2-fluoro-3-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 107118250
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide (CID 106791408) is 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COC(C)CCC)cc1OC.
What is the InChIKey of 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide?
The InChIKey is MZEXWYKQWBQUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-10(2)18-9-11-6-7-12(14(15)16)13(8-11)17-3/h6-8,10H,4-5,9H2,1-3H3,(H3,15,16).
What are the key properties of 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide?
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide has a molecular weight of 250.34 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 106791408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).