2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine

C16H22FN — CID 23646096

IUPAC2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine
SMILESFC(CNCCc1ccccc1)=C1CCCCC1
InChIInChI=1S/C16H22FN/c17-16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,18H,2,5-6,9-13H2
InChIKeyXUKGUUREEFFZLT-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.01
Rot. Bonds5

About 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine

2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine (PubChem CID 23646096) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine
PubChem CID23646096
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine
SMILESFC(CNCCc1ccccc1)=C1CCCCC1
InChIInChI=1S/C16H22FN/c17-16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,18H,2,5-6,9-13H2
InChIKeyXUKGUUREEFFZLT-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine?
The IUPAC name of 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine (CID 23646096) is 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine is FC(CNCCc1ccccc1)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine?
The InChIKey is XUKGUUREEFFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,18H,2,5-6,9-13H2.
What are the key properties of 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine?
2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-2-fluoro-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 23646096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).