N-benzyl-2-cyclohexylidene-2-fluoroethanamine

C15H20FN — CID 23646091

IUPACN-benzyl-2-cyclohexylidene-2-fluoroethanamine
SMILESFC(CNCc1ccccc1)=C1CCCCC1
InChIInChI=1S/C15H20FN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2
InChIKeyMPIMSECTPPRNEQ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.96
Rot. Bonds4

About N-benzyl-2-cyclohexylidene-2-fluoroethanamine

N-benzyl-2-cyclohexylidene-2-fluoroethanamine (PubChem CID 23646091) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-benzyl-2-cyclohexylidene-2-fluoroethanamine.

Molecular Properties

Compound NameN-benzyl-2-cyclohexylidene-2-fluoroethanamine
PubChem CID23646091
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-benzyl-2-cyclohexylidene-2-fluoroethanamine
SMILESFC(CNCc1ccccc1)=C1CCCCC1
InChIInChI=1S/C15H20FN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2
InChIKeyMPIMSECTPPRNEQ-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclohexylidene-2-fluoroethanamine?
The IUPAC name of N-benzyl-2-cyclohexylidene-2-fluoroethanamine (CID 23646091) is N-benzyl-2-cyclohexylidene-2-fluoroethanamine.
What is the SMILES notation for N-benzyl-2-cyclohexylidene-2-fluoroethanamine?
The canonical SMILES for N-benzyl-2-cyclohexylidene-2-fluoroethanamine is FC(CNCc1ccccc1)=C1CCCCC1.
What is the InChIKey of N-benzyl-2-cyclohexylidene-2-fluoroethanamine?
The InChIKey is MPIMSECTPPRNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2.
What are the key properties of N-benzyl-2-cyclohexylidene-2-fluoroethanamine?
N-benzyl-2-cyclohexylidene-2-fluoroethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclohexylidene-2-fluoroethanamine is sourced from PubChem (CID 23646091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).