2-hydroxy-2-phenylbutanimidamide

C10H14N2O — CID 23422944

IUPAC2-hydroxy-2-phenylbutanimidamide
SMILES[H]/N=C(\N)C(O)(CC)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H3,11,12)
InChIKeyXLRQFVVVKFVESU-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.22
Rot. Bonds3

About 2-hydroxy-2-phenylbutanimidamide

2-hydroxy-2-phenylbutanimidamide (PubChem CID 23422944) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-hydroxy-2-phenylbutanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-phenylbutanimidamide
PubChem CID23422944
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-hydroxy-2-phenylbutanimidamide
SMILES[H]/N=C(\N)C(O)(CC)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H3,11,12)
InChIKeyXLRQFVVVKFVESU-UHFFFAOYSA-N
XLogP1.22
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylbutanimidamide?
The IUPAC name of 2-hydroxy-2-phenylbutanimidamide (CID 23422944) is 2-hydroxy-2-phenylbutanimidamide.
What is the SMILES notation for 2-hydroxy-2-phenylbutanimidamide?
The canonical SMILES for 2-hydroxy-2-phenylbutanimidamide is [H]/N=C(\N)C(O)(CC)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylbutanimidamide?
The InChIKey is XLRQFVVVKFVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H3,11,12).
What are the key properties of 2-hydroxy-2-phenylbutanimidamide?
2-hydroxy-2-phenylbutanimidamide has a molecular weight of 178.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylbutanimidamide is sourced from PubChem (CID 23422944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).