1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine

C15H12F6N2 — CID 169111944

IUPAC1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C15H12F6N2/c16-14(17,18)12-4-1-10(2-5-12)7-22-8-11-3-6-13(23-9-11)15(19,20)21/h1-6,9,22H,7-8H2
InChIKeyZDXSHFSYYLMFFV-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.41
Rot. Bonds4

About 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine

1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine (PubChem CID 169111944) has the molecular formula C15H12F6N2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
PubChem CID169111944
Molecular FormulaC15H12F6N2
Molecular Weight334.26 g/mol
Exact Mass334.09
IUPAC Name1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C15H12F6N2/c16-14(17,18)12-4-1-10(2-5-12)7-22-8-11-3-6-13(23-9-11)15(19,20)21/h1-6,9,22H,7-8H2
InChIKeyZDXSHFSYYLMFFV-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 175089211
6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 79794361
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 54897039
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702101
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
N-[(2-chloro-3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 126819952

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine (CID 169111944) is 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine is FC(F)(F)c1ccc(CNCc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine?
The InChIKey is ZDXSHFSYYLMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2/c16-14(17,18)12-4-1-10(2-5-12)7-22-8-11-3-6-13(23-9-11)15(19,20)21/h1-6,9,22H,7-8H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine?
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 169111944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).