2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine

C10H13F2N3O — CID 110062319

IUPAC2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
SMILESNC(N)=NCCc1ccccc1OC(F)F
InChIInChI=1S/C10H13F2N3O/c11-9(12)16-8-4-2-1-3-7(8)5-6-15-10(13)14/h1-4,9H,5-6H2,(H4,13,14,15)
InChIKeyDUPNOBJUDJARAE-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.10
Rot. Bonds5

About 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine

2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine (PubChem CID 110062319) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
PubChem CID110062319
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
SMILESNC(N)=NCCc1ccccc1OC(F)F
InChIInChI=1S/C10H13F2N3O/c11-9(12)16-8-4-2-1-3-7(8)5-6-15-10(13)14/h1-4,9H,5-6H2,(H4,13,14,15)
InChIKeyDUPNOBJUDJARAE-UHFFFAOYSA-N
XLogP1.10
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.10
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

2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine
CID 110062385
2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide
CID 110062384
1-butan-2-yl-2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
CID 110062321
2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 110062382
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111039925
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine;hydroiodide
CID 111498125
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
N'-[2-(2-methoxyphenyl)ethyl]propanimidamide
CID 106262572
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine?
The IUPAC name of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine (CID 110062319) is 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine?
The canonical SMILES for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine is NC(N)=NCCc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine?
The InChIKey is DUPNOBJUDJARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-9(12)16-8-4-2-1-3-7(8)5-6-15-10(13)14/h1-4,9H,5-6H2,(H4,13,14,15).
What are the key properties of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine?
2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine has a molecular weight of 229.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine is sourced from PubChem (CID 110062319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).