2-(3-phenoxypropyl)guanidine

C10H15N3O — CID 13923

IUPAC2-(3-phenoxypropyl)guanidine
SMILESNC(N)=NCCCOc1ccccc1
InChIInChI=1S/C10H15N3O/c11-10(12)13-7-4-8-14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
InChIKeyUEIBTMGAIXZRBV-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.73
Rot. Bonds5

About 2-(3-phenoxypropyl)guanidine

2-(3-phenoxypropyl)guanidine (PubChem CID 13923) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)guanidine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)guanidine
PubChem CID13923
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(3-phenoxypropyl)guanidine
SMILESNC(N)=NCCCOc1ccccc1
InChIInChI=1S/C10H15N3O/c11-10(12)13-7-4-8-14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
InChIKeyUEIBTMGAIXZRBV-UHFFFAOYSA-N
XLogP0.73
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-phenoxypropyl)guanidine?
The IUPAC name of 2-(3-phenoxypropyl)guanidine (CID 13923) is 2-(3-phenoxypropyl)guanidine.
What is the SMILES notation for 2-(3-phenoxypropyl)guanidine?
The canonical SMILES for 2-(3-phenoxypropyl)guanidine is NC(N)=NCCCOc1ccccc1.
What is the InChIKey of 2-(3-phenoxypropyl)guanidine?
The InChIKey is UEIBTMGAIXZRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-10(12)13-7-4-8-14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13).
What are the key properties of 2-(3-phenoxypropyl)guanidine?
2-(3-phenoxypropyl)guanidine has a molecular weight of 193.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)guanidine is sourced from PubChem (CID 13923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).