2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine

C16H17FIN — CID 105050991

IUPAC2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1ccccc1I
InChIInChI=1S/C16H17FIN/c1-11-9-13(17)8-7-12(11)10-16(19-2)14-5-3-4-6-15(14)18/h3-9,16,19H,10H2,1-2H3
InChIKeyHZOMIEQCTJVGCP-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine

2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine (PubChem CID 105050991) has the molecular formula C16H17FIN and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
PubChem CID105050991
Molecular FormulaC16H17FIN
Molecular Weight369.22 g/mol
Exact Mass369.04
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1ccccc1I
InChIInChI=1S/C16H17FIN/c1-11-9-13(17)8-7-12(11)10-16(19-2)14-5-3-4-6-15(14)18/h3-9,16,19H,10H2,1-2H3
InChIKeyHZOMIEQCTJVGCP-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 61079847
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine (CID 105050991) is 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1ccccc1I.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine?
The InChIKey is HZOMIEQCTJVGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FIN/c1-11-9-13(17)8-7-12(11)10-16(19-2)14-5-3-4-6-15(14)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine?
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine has a molecular weight of 369.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 105050991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).