2-[2-(hydroxymethyl)phenoxy]butanimidamide

C11H16N2O2 — CID 63653622

IUPAC2-[2-(hydroxymethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1ccccc1CO
InChIInChI=1S/C11H16N2O2/c1-2-9(11(12)13)15-10-6-4-3-5-8(10)7-14/h3-6,9,14H,2,7H2,1H3,(H3,12,13)
InChIKeyLXWKNLGQTGDVGU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-(hydroxymethyl)phenoxy]butanimidamide

2-[2-(hydroxymethyl)phenoxy]butanimidamide (PubChem CID 63653622) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]butanimidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]butanimidamide
PubChem CID63653622
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[2-(hydroxymethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1ccccc1CO
InChIInChI=1S/C11H16N2O2/c1-2-9(11(12)13)15-10-6-4-3-5-8(10)7-14/h3-6,9,14H,2,7H2,1H3,(H3,12,13)
InChIKeyLXWKNLGQTGDVGU-UHFFFAOYSA-N
XLogP1.27
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
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

diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
2-(5-bromo-2,3-difluorophenoxy)butanimidamide
CID 107099813
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-chloro-3-(2-ethoxyphenyl)propanimidamide
CID 141327609
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanimidamide
CID 63524867
2-(3-chloro-4-fluorophenoxy)butanimidamide
CID 63878136
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
(2-(111C)methoxyphenyl)methanol
CID 59897789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]butanimidamide?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]butanimidamide (CID 63653622) is 2-[2-(hydroxymethyl)phenoxy]butanimidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]butanimidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]butanimidamide is [H]/N=C(\N)C(CC)Oc1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]butanimidamide?
The InChIKey is LXWKNLGQTGDVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-9(11(12)13)15-10-6-4-3-5-8(10)7-14/h3-6,9,14H,2,7H2,1H3,(H3,12,13).
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]butanimidamide?
2-[2-(hydroxymethyl)phenoxy]butanimidamide has a molecular weight of 208.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]butanimidamide is sourced from PubChem (CID 63653622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).