1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine

C14H20FN3O — CID 110942222

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NC1CC1c1ccccc1F
InChIInChI=1S/C14H20FN3O/c1-16-14(17-7-8-19-2)18-13-9-11(13)10-5-3-4-6-12(10)15/h3-6,11,13H,7-9H2,1-2H3,(H2,16,17,18)
InChIKeyMOSNXIUBKVAAHC-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 110942222) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID110942222
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NC1CC1c1ccccc1F
InChIInChI=1S/C14H20FN3O/c1-16-14(17-7-8-19-2)18-13-9-11(13)10-5-3-4-6-12(10)15/h3-6,11,13H,7-9H2,1-2H3,(H2,16,17,18)
InChIKeyMOSNXIUBKVAAHC-UHFFFAOYSA-N
XLogP1.49
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405267
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410312
1-(3-butoxypropyl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111238889
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111790435
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198612
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
CID 110976217
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111880023
1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110938675
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111877896
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556443

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 110942222) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(\NCCOC)NC1CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is MOSNXIUBKVAAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-16-14(17-7-8-19-2)18-13-9-11(13)10-5-3-4-6-12(10)15/h3-6,11,13H,7-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 265.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 110942222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).