3-(oxolan-2-ylmethoxy)benzenecarboximidamide

C12H16N2O2 — CID 24696878

IUPAC3-(oxolan-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C12H16N2O2/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2,(H3,13,14)
InChIKeyJOVOYZLFXITWET-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.53
Rot. Bonds4

About 3-(oxolan-2-ylmethoxy)benzenecarboximidamide

3-(oxolan-2-ylmethoxy)benzenecarboximidamide (PubChem CID 24696878) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)benzenecarboximidamide
PubChem CID24696878
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(oxolan-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C12H16N2O2/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2,(H3,13,14)
InChIKeyJOVOYZLFXITWET-UHFFFAOYSA-N
XLogP1.53
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.53
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

3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
CID 55157630
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
3-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
CID 106494594
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
5-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]-1,3-diazinane-2,4,6-trione
CID 98449523
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-(oxolan-2-ylmethoxy)benzenecarboximidamide (CID 24696878) is 3-(oxolan-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is JOVOYZLFXITWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2,(H3,13,14).
What are the key properties of 3-(oxolan-2-ylmethoxy)benzenecarboximidamide?
3-(oxolan-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 220.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24696878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).