3-hydroxy-4-phenoxybutanimidamide

C10H14N2O2 — CID 83814373

IUPAC3-hydroxy-4-phenoxybutanimidamide
SMILES[H]/N=C(\N)CC(O)COc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-10(12)6-8(13)7-14-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H3,11,12)
InChIKeyXVYAOTXJIUUBEB-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.75
Rot. Bonds5

About 3-hydroxy-4-phenoxybutanimidamide

3-hydroxy-4-phenoxybutanimidamide (PubChem CID 83814373) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-hydroxy-4-phenoxybutanimidamide.

Molecular Properties

Compound Name3-hydroxy-4-phenoxybutanimidamide
PubChem CID83814373
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-hydroxy-4-phenoxybutanimidamide
SMILES[H]/N=C(\N)CC(O)COc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-10(12)6-8(13)7-14-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H3,11,12)
InChIKeyXVYAOTXJIUUBEB-UHFFFAOYSA-N
XLogP0.75
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.75
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

3-phenoxybutanimidamide
CID 114995804
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
3-phenoxypropane-1,2-diol
CID 10857
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
actinium;3-phenoxypropane-1,2-diol
CID 22981458
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
3-[3-(4-carbamimidoylphenoxy)-2-hydroxypropoxy]benzenecarboximidamide
CID 141009968
1-methyl-1-(1-phenoxypropan-2-yl)guanidine
CID 139746217
14-phenoxytetradecane-1,13-diol
CID 123918890

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenoxybutanimidamide?
The IUPAC name of 3-hydroxy-4-phenoxybutanimidamide (CID 83814373) is 3-hydroxy-4-phenoxybutanimidamide.
What is the SMILES notation for 3-hydroxy-4-phenoxybutanimidamide?
The canonical SMILES for 3-hydroxy-4-phenoxybutanimidamide is [H]/N=C(\N)CC(O)COc1ccccc1.
What is the InChIKey of 3-hydroxy-4-phenoxybutanimidamide?
The InChIKey is XVYAOTXJIUUBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-10(12)6-8(13)7-14-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H3,11,12).
What are the key properties of 3-hydroxy-4-phenoxybutanimidamide?
3-hydroxy-4-phenoxybutanimidamide has a molecular weight of 194.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenoxybutanimidamide is sourced from PubChem (CID 83814373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).