2-(oxan-4-ylmethoxy)benzenecarboximidamide

C13H18N2O2 — CID 62381525

IUPAC2-(oxan-4-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCC1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-13(15)11-3-1-2-4-12(11)17-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H3,14,15)
InChIKeyHJCGIYDFKGFECF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds4

About 2-(oxan-4-ylmethoxy)benzenecarboximidamide

2-(oxan-4-ylmethoxy)benzenecarboximidamide (PubChem CID 62381525) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)benzenecarboximidamide
PubChem CID62381525
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(oxan-4-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCC1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-13(15)11-3-1-2-4-12(11)17-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H3,14,15)
InChIKeyHJCGIYDFKGFECF-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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 2-(oxan-4-ylmethoxy)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

2-(oxan-4-ylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 62381527
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898342
2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463
1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-(oxan-4-ylmethoxy)benzenecarboximidamide (CID 62381525) is 2-(oxan-4-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-(oxan-4-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)benzenecarboximidamide?
The InChIKey is HJCGIYDFKGFECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(15)11-3-1-2-4-12(11)17-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H3,14,15).
What are the key properties of 2-(oxan-4-ylmethoxy)benzenecarboximidamide?
2-(oxan-4-ylmethoxy)benzenecarboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 62381525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).