2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine

C18H20FN3O — CID 119148133

IUPAC2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CC2(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H20FN3O/c1-23-16-7-3-6-15(11-16)22-17(20)21-12-18(8-9-18)13-4-2-5-14(19)10-13/h2-7,10-11H,8-9,12H2,1H3,(H3,20,21,22)
InChIKeyHAEXETSBHACENT-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.29
Rot. Bonds5

About 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine

2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine (PubChem CID 119148133) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine
PubChem CID119148133
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CC2(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H20FN3O/c1-23-16-7-3-6-15(11-16)22-17(20)21-12-18(8-9-18)13-4-2-5-14(19)10-13/h2-7,10-11H,8-9,12H2,1H3,(H3,20,21,22)
InChIKeyHAEXETSBHACENT-UHFFFAOYSA-N
XLogP3.29
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.29
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-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111068051
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(2-methoxyphenyl)guanidine
CID 111818286
1-(2,5-dimethoxyphenyl)-2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111080966
2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111068097
2-[(1-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111078425
2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111080972
1-(3-methoxyphenyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
CID 120973515
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
1-(3-methoxyphenyl)-2-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 111080999
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111639172
2-[2-(3-fluorophenyl)-2-methylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111816381

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine (CID 119148133) is 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine is COc1cccc(N/C(N)=N/CC2(c3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine?
The InChIKey is HAEXETSBHACENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-23-16-7-3-6-15(11-16)22-17(20)21-12-18(8-9-18)13-4-2-5-14(19)10-13/h2-7,10-11H,8-9,12H2,1H3,(H3,20,21,22).
What are the key properties of 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine?
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine has a molecular weight of 313.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 119148133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).