1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine

C10H14FN3 — CID 20543539

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H14FN3/c1-6-4-8(11)5-7(2)9(6)14(3)10(12)13/h4-5H,1-3H3,(H3,12,13)
InChIKeyWAMNIBVZMVJYPM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.77
Rot. Bonds1

About 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine

1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine (PubChem CID 20543539) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine
PubChem CID20543539
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H14FN3/c1-6-4-8(11)5-7(2)9(6)14(3)10(12)13/h4-5H,1-3H3,(H3,12,13)
InChIKeyWAMNIBVZMVJYPM-UHFFFAOYSA-N
XLogP1.77
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine (CID 20543539) is 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine is [H]/N=C(\N)N(C)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine?
The InChIKey is WAMNIBVZMVJYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-6-4-8(11)5-7(2)9(6)14(3)10(12)13/h4-5H,1-3H3,(H3,12,13).
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine?
1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine has a molecular weight of 195.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)-1-methylguanidine is sourced from PubChem (CID 20543539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).