1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C12H13FIN3 — CID 114029545

IUPAC1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1I)c1nccn1C
InChIInChI=1S/C12H13FIN3/c1-15-11(12-16-5-6-17(12)2)9-4-3-8(13)7-10(9)14/h3-7,11,15H,1-2H3
InChIKeyQKNAOOMYBGOBNE-UHFFFAOYSA-N
MW345.16 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 114029545) has the molecular formula C12H13FIN3 and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID114029545
Molecular FormulaC12H13FIN3
Molecular Weight345.16 g/mol
Exact Mass345.01
IUPAC Name1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1I)c1nccn1C
InChIInChI=1S/C12H13FIN3/c1-15-11(12-16-5-6-17(12)2)9-4-3-8(13)7-10(9)14/h3-7,11,15H,1-2H3
InChIKeyQKNAOOMYBGOBNE-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine 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-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114030303
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 106857664
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 63976228
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61314637
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 114029545) is 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1ccc(F)cc1I)c1nccn1C.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is QKNAOOMYBGOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FIN3/c1-15-11(12-16-5-6-17(12)2)9-4-3-8(13)7-10(9)14/h3-7,11,15H,1-2H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 345.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 114029545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).