1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine

C15H22FN3O2 — CID 111082633

IUPAC1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
SMILESN/C(=N\CC(O)COc1ccc(F)cc1)NCC1CCC1
InChIInChI=1S/C15H22FN3O2/c16-12-4-6-14(7-5-12)21-10-13(20)9-19-15(17)18-8-11-2-1-3-11/h4-7,11,13,20H,1-3,8-10H2,(H3,17,18,19)
InChIKeyZOLLXIIHTPTNHY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.27
Rot. Bonds7

About 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine

1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine (PubChem CID 111082633) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
PubChem CID111082633
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
SMILESN/C(=N\CC(O)COc1ccc(F)cc1)NCC1CCC1
InChIInChI=1S/C15H22FN3O2/c16-12-4-6-14(7-5-12)21-10-13(20)9-19-15(17)18-8-11-2-1-3-11/h4-7,11,13,20H,1-3,8-10H2,(H3,17,18,19)
InChIKeyZOLLXIIHTPTNHY-UHFFFAOYSA-N
XLogP1.27
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine;hydroiodide
CID 111082628
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
1-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111082621
1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091583
3-[[N-ethyl-N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]carbamimidoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 111995063
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111262831
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-ethyl-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125537
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine;hydroiodide
CID 111262830

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine (CID 111082633) is 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine is N/C(=N\CC(O)COc1ccc(F)cc1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine?
The InChIKey is ZOLLXIIHTPTNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-12-4-6-14(7-5-12)21-10-13(20)9-19-15(17)18-8-11-2-1-3-11/h4-7,11,13,20H,1-3,8-10H2,(H3,17,18,19).
What are the key properties of 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine?
1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine has a molecular weight of 295.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111082633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).