2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine

C15H24F2N4 — CID 111814372

IUPAC2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CC(c1c(F)cccc1F)N(C)C
InChIInChI=1S/C15H24F2N4/c1-5-21(6-2)15(18)19-10-13(20(3)4)14-11(16)8-7-9-12(14)17/h7-9,13H,5-6,10H2,1-4H3,(H2,18,19)
InChIKeyQPRAIZUPUWUQKL-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.22
Rot. Bonds6

About 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine

2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine (PubChem CID 111814372) has the molecular formula C15H24F2N4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine
PubChem CID111814372
Molecular FormulaC15H24F2N4
Molecular Weight298.38 g/mol
Exact Mass298.20
IUPAC Name2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CC(c1c(F)cccc1F)N(C)C
InChIInChI=1S/C15H24F2N4/c1-5-21(6-2)15(18)19-10-13(20(3)4)14-11(16)8-7-9-12(14)17/h7-9,13H,5-6,10H2,1-4H3,(H2,18,19)
InChIKeyQPRAIZUPUWUQKL-UHFFFAOYSA-N
XLogP2.22
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.22
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-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111814335
N'-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111814388
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111814350
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075663
2-[1-(2,6-difluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 43739406
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111794890
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
CID 111054972
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111794045
2-[2-(4-chlorophenyl)-2-methoxyethyl]-1,1-diethylguanidine
CID 75494662
N'-(2,6-difluorophenyl)propanimidamide
CID 63178619
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111790750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine?
The IUPAC name of 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine (CID 111814372) is 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine is CCN(CC)/C(N)=N/CC(c1c(F)cccc1F)N(C)C.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine?
The InChIKey is QPRAIZUPUWUQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4/c1-5-21(6-2)15(18)19-10-13(20(3)4)14-11(16)8-7-9-12(14)17/h7-9,13H,5-6,10H2,1-4H3,(H2,18,19).
What are the key properties of 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine?
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine has a molecular weight of 298.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine is sourced from PubChem (CID 111814372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).