1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine

C16H15F4N — CID 115794840

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1C
InChIInChI=1S/C16H15F4N/c1-10-5-3-4-6-12(10)15(21-2)11-7-8-14(17)13(9-11)16(18,19)20/h3-9,15,21H,1-2H3
InChIKeyDRPYGWUTOJJNKZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.46
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 115794840) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID115794840
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1C
InChIInChI=1S/C16H15F4N/c1-10-5-3-4-6-12(10)15(21-2)11-7-8-14(17)13(9-11)16(18,19)20/h3-9,15,21H,1-2H3
InChIKeyDRPYGWUTOJJNKZ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991349
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853933
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
CID 107292299
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-iodophenyl)methyl]hydrazine
CID 107292549
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 107291869

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine (CID 115794840) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1C.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is DRPYGWUTOJJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-10-5-3-4-6-12(10)15(21-2)11-7-8-14(17)13(9-11)16(18,19)20/h3-9,15,21H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 297.30 g/mol, XLogP of 4.46, 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-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 115794840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).