2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine

C14H21F2N3O — CID 110062385

IUPAC2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2N3O/c1-3-19(4-2)14(17)18-10-9-11-7-5-6-8-12(11)20-13(15)16/h5-8,13H,3-4,9-10H2,1-2H3,(H2,17,18)
InChIKeyZJVCCRQKRQBZFG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine

2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine (PubChem CID 110062385) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine
PubChem CID110062385
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2N3O/c1-3-19(4-2)14(17)18-10-9-11-7-5-6-8-12(11)20-13(15)16/h5-8,13H,3-4,9-10H2,1-2H3,(H2,17,18)
InChIKeyZJVCCRQKRQBZFG-UHFFFAOYSA-N
XLogP2.49
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
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;hydroiodide
CID 110062384
2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
CID 110062319
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
2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
CID 111044278
2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
N'-[2-(2-methoxyphenyl)ethyl]propanimidamide
CID 106262572
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111039925
1,1-diethyl-2-[2-[3-(3-phenylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111807463
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine?
The IUPAC name of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine (CID 110062385) is 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine is CCN(CC)/C(N)=N/CCc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine?
The InChIKey is ZJVCCRQKRQBZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-3-19(4-2)14(17)18-10-9-11-7-5-6-8-12(11)20-13(15)16/h5-8,13H,3-4,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine?
2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine has a molecular weight of 285.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine is sourced from PubChem (CID 110062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).