1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine

C14H11F4N — CID 115503173

IUPAC1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(F)c(F)cc2F)cc1F
InChIInChI=1S/C14H11F4N/c1-19-7-9-3-2-8(4-11(9)15)10-5-13(17)14(18)6-12(10)16/h2-6,19H,7H2,1H3
InChIKeyCMNXFHFXZHNORE-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.63
Rot. Bonds3

About 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine

1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine (PubChem CID 115503173) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
PubChem CID115503173
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(F)c(F)cc2F)cc1F
InChIInChI=1S/C14H11F4N/c1-19-7-9-3-2-8(4-11(9)15)10-5-13(17)14(18)6-12(10)16/h2-6,19H,7H2,1H3
InChIKeyCMNXFHFXZHNORE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370
1-[2-chloro-4-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476855
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 106763208
1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine
CID 61032657
1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine
CID 62812806
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine (CID 115503173) is 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(F)c(F)cc2F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is CMNXFHFXZHNORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-19-7-9-3-2-8(4-11(9)15)10-5-13(17)14(18)6-12(10)16/h2-6,19H,7H2,1H3.
What are the key properties of 1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-4-(2,4,5-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-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 115503173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).