2-[3-(methoxymethyl)phenoxy]propanimidamide

C11H16N2O2 — CID 63984205

IUPAC2-[3-(methoxymethyl)phenoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)Oc1cccc(COC)c1
InChIInChI=1S/C11H16N2O2/c1-8(11(12)13)15-10-5-3-4-9(6-10)7-14-2/h3-6,8H,7H2,1-2H3,(H3,12,13)
InChIKeyVEBCPIHILVPSCQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds5

About 2-[3-(methoxymethyl)phenoxy]propanimidamide

2-[3-(methoxymethyl)phenoxy]propanimidamide (PubChem CID 63984205) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]propanimidamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]propanimidamide
PubChem CID63984205
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[3-(methoxymethyl)phenoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)Oc1cccc(COC)c1
InChIInChI=1S/C11H16N2O2/c1-8(11(12)13)15-10-5-3-4-9(6-10)7-14-2/h3-6,8H,7H2,1-2H3,(H3,12,13)
InChIKeyVEBCPIHILVPSCQ-UHFFFAOYSA-N
XLogP1.54
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.54
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

N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
2-(3-chlorophenoxy)propanimidamide;hydrochloride
CID 160750726
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-(4-benzylphenoxy)propanimidamide
CID 55054330
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]propanimidamide?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]propanimidamide (CID 63984205) is 2-[3-(methoxymethyl)phenoxy]propanimidamide.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]propanimidamide?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]propanimidamide is [H]/N=C(\N)C(C)Oc1cccc(COC)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]propanimidamide?
The InChIKey is VEBCPIHILVPSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(11(12)13)15-10-5-3-4-9(6-10)7-14-2/h3-6,8H,7H2,1-2H3,(H3,12,13).
What are the key properties of 2-[3-(methoxymethyl)phenoxy]propanimidamide?
2-[3-(methoxymethyl)phenoxy]propanimidamide has a molecular weight of 208.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]propanimidamide is sourced from PubChem (CID 63984205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).