2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine

C17H20FN3 — CID 139674758

IUPAC2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1c(F)cccc1-c1ccccc1)N(C)C
InChIInChI=1S/C17H20FN3/c1-20(2)17(21(3)4)19-16-14(11-8-12-15(16)18)13-9-6-5-7-10-13/h5-12H,1-4H3
InChIKeyYYHVGZSCMIUCQI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.60
Rot. Bonds2

About 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine

2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine (PubChem CID 139674758) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine
PubChem CID139674758
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1c(F)cccc1-c1ccccc1)N(C)C
InChIInChI=1S/C17H20FN3/c1-20(2)17(21(3)4)19-16-14(11-8-12-15(16)18)13-9-6-5-7-10-13/h5-12H,1-4H3
InChIKeyYYHVGZSCMIUCQI-UHFFFAOYSA-N
XLogP3.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-acetyl-6-phenylphenyl)-1,1-dimethylguanidine
CID 139674783
1-fluoro-2-[2-(2-phenylphenyl)phenyl]benzene
CID 141475621
2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
CID 67628523
2-(5-chloro-2-phenylphenyl)-1,1-dimethylguanidine
CID 67872322
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
1-fluoro-4-phenylnaphthalene
CID 46314926
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide
CID 129205464
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
N,N-dimethyl-2,3-diphenylaniline
CID 18930760
1,4-bis(2-fluorophenyl)benzene
CID 58121760
2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 137346061

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine (CID 139674758) is 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine is CN(C)C(=Nc1c(F)cccc1-c1ccccc1)N(C)C.
What is the InChIKey of 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is YYHVGZSCMIUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-20(2)17(21(3)4)19-16-14(11-8-12-15(16)18)13-9-6-5-7-10-13/h5-12H,1-4H3.
What are the key properties of 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine?
2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 285.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 139674758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).