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

C15H15F2N — CID 55027117

IUPAC1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H15F2N/c1-10-9-12(5-8-14(10)17)15(18-2)11-3-6-13(16)7-4-11/h3-9,15,18H,1-2H3
InChIKeyLVMZFEZVIGLBLR-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.58
Rot. Bonds3

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

1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 55027117) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID55027117
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H15F2N/c1-10-9-12(5-8-14(10)17)15(18-2)11-3-6-13(16)7-4-11/h3-9,15,18H,1-2H3
InChIKeyLVMZFEZVIGLBLR-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 55027117) is 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is LVMZFEZVIGLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-9-12(5-8-14(10)17)15(18-2)11-3-6-13(16)7-4-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.58, 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-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 55027117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).