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

C14H22F2IN3O — CID 110062384

IUPAC2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCc1ccccc1OC(F)F.I
InChIInChI=1S/C14H21F2N3O.HI/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);1H
InChIKeyHAZLPXYKIHFGIU-UHFFFAOYSA-N
MW413.25 g/mol
LogP3.11
Rot. Bonds7

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

2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 110062384) has the molecular formula C14H22F2IN3O and a molecular weight of 413.25 g/mol. Its IUPAC name is 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide
PubChem CID110062384
Molecular FormulaC14H22F2IN3O
Molecular Weight413.25 g/mol
Exact Mass413.08
IUPAC Name2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCc1ccccc1OC(F)F.I
InChIInChI=1S/C14H21F2N3O.HI/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);1H
InChIKeyHAZLPXYKIHFGIU-UHFFFAOYSA-N
XLogP3.11
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 53.11
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'}, {'alert_name': 'iodine', '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]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-(difluoromethoxy)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111039925
2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448
1,1-diethyl-2-[2-[3-(3-phenylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111807463
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
N'-[2-(2-methoxyphenyl)ethyl]propanimidamide
CID 106262572
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111039887
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide (CID 110062384) is 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)/C(N)=N/CCc1ccccc1OC(F)F.I.
What is the InChIKey of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is HAZLPXYKIHFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O.HI/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);1H.
What are the key properties of 2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide?
2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 413.25 g/mol, XLogP of 3.11, 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;hydroiodide is sourced from PubChem (CID 110062384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).