3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide

C13H18N2O2 — CID 114483792

IUPAC3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CCOC2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(13(14)15)2-3-11(9)7-17-12-4-5-16-8-12/h2-3,6,12H,4-5,7-8H2,1H3,(H3,14,15)
InChIKeyWPLIZZUQAXMSLR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.58
Rot. Bonds4

About 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide

3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide (PubChem CID 114483792) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
PubChem CID114483792
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CCOC2)c(C)c1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(13(14)15)2-3-11(9)7-17-12-4-5-16-8-12/h2-3,6,12H,4-5,7-8H2,1H3,(H3,14,15)
InChIKeyWPLIZZUQAXMSLR-UHFFFAOYSA-N
XLogP1.58
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.58
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'}

Analyze 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483836
N'-hydroxy-3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483290
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483806
4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483832
3-methyl-4-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 114484205
3-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61288397
3-methyl-4-(oxolan-3-yloxymethyl)benzonitrile
CID 114481616
3-bromo-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 82798806
4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483402
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide?
The IUPAC name of 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide (CID 114483792) is 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COC2CCOC2)c(C)c1.
What is the InChIKey of 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide?
The InChIKey is WPLIZZUQAXMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-10(13(14)15)2-3-11(9)7-17-12-4-5-16-8-12/h2-3,6,12H,4-5,7-8H2,1H3,(H3,14,15).
What are the key properties of 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide?
3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 114483792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).