1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine

C14H11F4N — CID 81447979

IUPAC1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2c(F)cc(F)cc2F)c(F)c1
InChIInChI=1S/C14H11F4N/c1-19-7-8-2-3-10(11(16)4-8)14-12(17)5-9(15)6-13(14)18/h2-6,19H,7H2,1H3
InChIKeyHWSZYGKZUUVOBH-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.63
Rot. Bonds3

About 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine (PubChem CID 81447979) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine
PubChem CID81447979
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2c(F)cc(F)cc2F)c(F)c1
InChIInChI=1S/C14H11F4N/c1-19-7-8-2-3-10(11(16)4-8)14-12(17)5-9(15)6-13(14)18/h2-6,19H,7H2,1H3
InChIKeyHWSZYGKZUUVOBH-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine 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

N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 106882311
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 79690685
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 81440632
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine (CID 81447979) is 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2c(F)cc(F)cc2F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is HWSZYGKZUUVOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-19-7-8-2-3-10(11(16)4-8)14-12(17)5-9(15)6-13(14)18/h2-6,19H,7H2,1H3.
What are the key properties of 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine has a molecular weight of 269.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81447979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).