2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine

C12H18FN3O — CID 111026675

IUPAC2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-9(8-17-2)16-12(14)15-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyVMKCKKBTGFCPTH-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.26
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine

2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 111026675) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
PubChem CID111026675
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-9(8-17-2)16-12(14)15-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyVMKCKKBTGFCPTH-UHFFFAOYSA-N
XLogP1.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.26
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 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine 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-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817664
1-(1-methoxypropan-2-yl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046375
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-(1-methoxypropan-2-yl)-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086938
1-(1-methoxypropan-2-yl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070759
2-[2-(2,6-difluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111060754
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111053111
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111082272
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053110
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
CID 111031315
2-[(4-chloro-2-methoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111806766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine (CID 111026675) is 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(N)=N/Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is VMKCKKBTGFCPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(8-17-2)16-12(14)15-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 239.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111026675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).