3-phenoxybutanimidamide

C10H14N2O — CID 114995804

IUPAC3-phenoxybutanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12)
InChIKeyLWRRKRFWESJVIP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.78
Rot. Bonds4

About 3-phenoxybutanimidamide

3-phenoxybutanimidamide (PubChem CID 114995804) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-phenoxybutanimidamide.

Molecular Properties

Compound Name3-phenoxybutanimidamide
PubChem CID114995804
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-phenoxybutanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12)
InChIKeyLWRRKRFWESJVIP-UHFFFAOYSA-N
XLogP1.78
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
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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Related Compounds

(3-Phenoxypropyl)amine
CID 418237
2,3-Dihydro-1,4-benzodioxine-2-carboximidamide
CID 2737433
N'-hydroxy-2-phenoxyethanimidamide
CID 2744271
2-Phenoxyacetamidine Hydrochloride
CID 2745912
Guanoxyfen
CID 13923
2-(4-Methylphenoxy)acetamidine
CID 13430822
(1Z)-N'-hydroxy-2-phenoxyethanimidamide
CID 9580876
1,4-Benzodioxin-2-ethanimidamide, 2,3-dihydro-, hydrochloride (1:1)
CID 12761787
2-Phenoxyethanimidamide
CID 290245
Phenyl acetimidate
CID 290510
[(1-Aminobutan-2-yl)oxy]benzene
CID 20251916
N'-hydroxy-5-phenoxypentanimidamide
CID 145980387

Frequently Asked Questions

What is the IUPAC name of 3-phenoxybutanimidamide?
The IUPAC name of 3-phenoxybutanimidamide (CID 114995804) is 3-phenoxybutanimidamide.
What is the SMILES notation for 3-phenoxybutanimidamide?
The canonical SMILES for 3-phenoxybutanimidamide is [H]/N=C(\N)CC(C)Oc1ccccc1.
What is the InChIKey of 3-phenoxybutanimidamide?
The InChIKey is LWRRKRFWESJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12).
What are the key properties of 3-phenoxybutanimidamide?
3-phenoxybutanimidamide has a molecular weight of 178.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxybutanimidamide is sourced from PubChem (CID 114995804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).