N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine

C16H21F4N — CID 107290780

IUPACN-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H21F4N/c1-2-21-10-12-5-3-4-6-13(12)11-7-8-14(15(17)9-11)16(18,19)20/h7-9,12-13,21H,2-6,10H2,1H3
InChIKeyZFELNPSKRUUMCL-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.73
Rot. Bonds4

About N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine

N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine (PubChem CID 107290780) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
PubChem CID107290780
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC NameN-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H21F4N/c1-2-21-10-12-5-3-4-6-13(12)11-7-8-14(15(17)9-11)16(18,19)20/h7-9,12-13,21H,2-6,10H2,1H3
InChIKeyZFELNPSKRUUMCL-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine (CID 107290780) is N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
The InChIKey is ZFELNPSKRUUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-2-21-10-12-5-3-4-6-13(12)11-7-8-14(15(17)9-11)16(18,19)20/h7-9,12-13,21H,2-6,10H2,1H3.
What are the key properties of N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine has a molecular weight of 303.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 107290780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).