4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide

C12H16N2O2 — CID 63558047

IUPAC4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OC1CCOC1
InChIInChI=1S/C12H16N2O2/c1-8-2-3-10(12(13)14)11(6-8)16-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H3,13,14)
InChIKeyGWKZDCNPTGGOIG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.45
Rot. Bonds3

About 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide

4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide (PubChem CID 63558047) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
PubChem CID63558047
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OC1CCOC1
InChIInChI=1S/C12H16N2O2/c1-8-2-3-10(12(13)14)11(6-8)16-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H3,13,14)
InChIKeyGWKZDCNPTGGOIG-UHFFFAOYSA-N
XLogP1.45
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.45
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-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
3-bromo-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 82798806
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606531
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323579
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606452
5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63557171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide (CID 63558047) is 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1OC1CCOC1.
What is the InChIKey of 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide?
The InChIKey is GWKZDCNPTGGOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-2-3-10(12(13)14)11(6-8)16-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H3,13,14).
What are the key properties of 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide?
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide has a molecular weight of 220.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 63558047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).