1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine

C15H15FIN — CID 79747300

IUPAC1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H15FIN/c1-10-9-12(5-8-14(10)16)15(18-2)11-3-6-13(17)7-4-11/h3-9,15,18H,1-2H3
InChIKeyPMPHCMYLEXSTGO-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine

1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine (PubChem CID 79747300) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
PubChem CID79747300
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H15FIN/c1-10-9-12(5-8-14(10)16)15(18-2)11-3-6-13(17)7-4-11/h3-9,15,18H,1-2H3
InChIKeyPMPHCMYLEXSTGO-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.05
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-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(4-fluoro-3-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63949186
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine (CID 79747300) is 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine is CNC(c1ccc(I)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The InChIKey is PMPHCMYLEXSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c1-10-9-12(5-8-14(10)16)15(18-2)11-3-6-13(17)7-4-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine has a molecular weight of 355.19 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 79747300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).