1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C14H12F4N2 — CID 105087924

IUPAC1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F4N2/c1-19-13(9-2-5-11(15)6-3-9)12-7-4-10(8-20-12)14(16,17)18/h2-8,13,19H,1H3
InChIKeyMZRDWKKVLHITPX-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105087924) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105087924
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12F4N2/c1-19-13(9-2-5-11(15)6-3-9)12-7-4-10(8-20-12)14(16,17)18/h2-8,13,19H,1H3
InChIKeyMZRDWKKVLHITPX-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
N-methyl-1-(5-methyl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105173821
1-(2-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105119403
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105099537
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
[(4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105286222
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1-(3,4-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79713610

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105087924) is 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is CNC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is MZRDWKKVLHITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-19-13(9-2-5-11(15)6-3-9)12-7-4-10(8-20-12)14(16,17)18/h2-8,13,19H,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 284.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105087924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).