1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine

C17H19F2N3O — CID 120671777

IUPAC1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(\NCc1ccco1)NC1CC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H19F2N3O/c1-20-17(21-10-16-3-2-4-23-16)22-15-7-12(8-15)11-5-13(18)9-14(19)6-11/h2-6,9,12,15H,7-8,10H2,1H3,(H2,20,21,22)
InChIKeyZZYIVYMKOWAZGK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine

1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine (PubChem CID 120671777) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine
PubChem CID120671777
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(\NCc1ccco1)NC1CC(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H19F2N3O/c1-20-17(21-10-16-3-2-4-23-16)22-15-7-12(8-15)11-5-13(18)9-14(19)6-11/h2-6,9,12,15H,7-8,10H2,1H3,(H2,20,21,22)
InChIKeyZZYIVYMKOWAZGK-UHFFFAOYSA-N
XLogP3.17
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-[3-(2-methylphenyl)cyclobutyl]guanidine;hydroiodide
CID 120679723
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110938675
1-[(1R,2S)-2-(4-bromo-3-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120662574
1-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120671441
1-(furan-2-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132815
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910532
1-(furan-2-ylmethyl)-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 86778612
1-(furan-2-ylmethyl)-3-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 119150354
2-[[N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111920412
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine
CID 110054544

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
The IUPAC name of 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine (CID 120671777) is 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine is C/N=C(\NCc1ccco1)NC1CC(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
The InChIKey is ZZYIVYMKOWAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-20-17(21-10-16-3-2-4-23-16)22-15-7-12(8-15)11-5-13(18)9-14(19)6-11/h2-6,9,12,15H,7-8,10H2,1H3,(H2,20,21,22).
What are the key properties of 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine has a molecular weight of 319.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine is sourced from PubChem (CID 120671777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).