2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C16H21F4N — CID 104622284

IUPAC2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1ccccc1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H21F4N/c1-21-15(10-11-6-2-5-9-14(11)17)12-7-3-4-8-13(12)16(18,19)20/h2,5-6,9,12-13,15,21H,3-4,7-8,10H2,1H3
InChIKeyUWMUYIGOEUVPCU-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 104622284) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID104622284
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1ccccc1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H21F4N/c1-21-15(10-11-6-2-5-9-14(11)17)12-7-3-4-8-13(12)16(18,19)20/h2,5-6,9,12-13,15,21H,3-4,7-8,10H2,1H3
InChIKeyUWMUYIGOEUVPCU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622288
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622298
1-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]-2,3-difluorobenzene
CID 104622698
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105139095
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108665
4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 61392693
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279
2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79914933

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 104622284) is 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is CNC(Cc1ccccc1F)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is UWMUYIGOEUVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-21-15(10-11-6-2-5-9-14(11)17)12-7-3-4-8-13(12)16(18,19)20/h2,5-6,9,12-13,15,21H,3-4,7-8,10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 303.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 104622284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).