2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide

C14H20N2O3 — CID 106791157

IUPAC2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC2CCCO2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-17-13-7-10(4-5-12(13)14(15)16)8-18-9-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H3,15,16)
InChIKeyASPSAKNQLKAWGS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds6

About 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide

2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide (PubChem CID 106791157) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
PubChem CID106791157
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC2CCCO2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-17-13-7-10(4-5-12(13)14(15)16)8-18-9-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H3,15,16)
InChIKeyASPSAKNQLKAWGS-UHFFFAOYSA-N
XLogP1.67
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106202148
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide (CID 106791157) is 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC2CCCO2)cc1OC.
What is the InChIKey of 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide?
The InChIKey is ASPSAKNQLKAWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-17-13-7-10(4-5-12(13)14(15)16)8-18-9-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H3,15,16).
What are the key properties of 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide?
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide has a molecular weight of 264.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 106791157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).