1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine

C11H15F2N3 — CID 62381463

IUPAC1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3,(H3,14,15,16)
InChIKeyAWZTZDVLXVVKBY-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.35
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine

1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine (PubChem CID 62381463) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
PubChem CID62381463
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3,(H3,14,15,16)
InChIKeyAWZTZDVLXVVKBY-UHFFFAOYSA-N
XLogP2.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
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

1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621
1-amino-3-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512523
1-(4-bromo-3,5-dimethylphenyl)-2-(2-methylpropyl)guanidine
CID 107579098
2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine
CID 62812620
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
1-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193
1-(5-fluoro-2-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62379802
2-(2-methylpropyl)-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378704
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylpropyl)guanidine
CID 55068216
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730
1-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methylpropyl)guanidine
CID 55068551
1-(3-bromo-4-methylphenyl)-2-(2-methylpropyl)guanidine
CID 63334509

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine (CID 62381463) is 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine?
The InChIKey is AWZTZDVLXVVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine?
1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine has a molecular weight of 227.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62381463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).