2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine

C17H24FN3O — CID 120762813

IUPAC2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
SMILESCOc1ccc(C2CC(N/C(N)=N/CC3CCC3)C2)cc1F
InChIInChI=1S/C17H24FN3O/c1-22-16-6-5-12(9-15(16)18)13-7-14(8-13)21-17(19)20-10-11-3-2-4-11/h5-6,9,11,13-14H,2-4,7-8,10H2,1H3,(H3,19,20,21)
InChIKeyTZTKVOYEXRVWNX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine

2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine (PubChem CID 120762813) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
PubChem CID120762813
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
SMILESCOc1ccc(C2CC(N/C(N)=N/CC3CCC3)C2)cc1F
InChIInChI=1S/C17H24FN3O/c1-22-16-6-5-12(9-15(16)18)13-7-14(8-13)21-17(19)20-10-11-3-2-4-11/h5-6,9,11,13-14H,2-4,7-8,10H2,1H3,(H3,19,20,21)
InChIKeyTZTKVOYEXRVWNX-UHFFFAOYSA-N
XLogP2.78
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
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'}

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Related Compounds

2-(cyclobutylmethyl)-1-[3-(3-fluorophenyl)cyclobutyl]guanidine;hydroiodide
CID 120671664
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 120671625
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
CID 120671626
N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
CID 154879757
2-(cyclooctylmethyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111075392
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
1-tert-butyl-2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine;hydroiodide
CID 120762824
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
2-(cyclobutylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111025158
1-(3-chloro-4-methoxyphenyl)-2-(cyclobutylmethyl)guanidine
CID 119118884
1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120663283
4-[[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122013472

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine (CID 120762813) is 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine is COc1ccc(C2CC(N/C(N)=N/CC3CCC3)C2)cc1F.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine?
The InChIKey is TZTKVOYEXRVWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-22-16-6-5-12(9-15(16)18)13-7-14(8-13)21-17(19)20-10-11-3-2-4-11/h5-6,9,11,13-14H,2-4,7-8,10H2,1H3,(H3,19,20,21).
What are the key properties of 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine?
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine has a molecular weight of 305.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine is sourced from PubChem (CID 120762813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).