1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

C14H18F4N2 — CID 105102442

IUPAC1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cncc(F)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H18F4N2/c1-19-13(10-6-12(15)8-20-7-10)9-3-2-4-11(5-9)14(16,17)18/h6-9,11,13,19H,2-5H2,1H3
InChIKeyPKHNEDDDYKMYQW-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105102442) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105102442
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cncc(F)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H18F4N2/c1-19-13(10-6-12(15)8-20-7-10)9-3-2-4-11(5-9)14(16,17)18/h6-9,11,13,19H,2-5H2,1H3
InChIKeyPKHNEDDDYKMYQW-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413773
N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173991
1-(2-chloro-5-fluorophenyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105397310
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105178723
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
N-(1-cyclobutylethyl)-5-fluoropyridin-3-amine
CID 126987329
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105180006
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105102442) is 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1cncc(F)c1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is PKHNEDDDYKMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-19-13(10-6-12(15)8-20-7-10)9-3-2-4-11(5-9)14(16,17)18/h6-9,11,13,19H,2-5H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 290.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105102442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).