1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine

C16H24FN — CID 43777654

IUPAC1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C16H24FN/c1-13(15-7-3-2-4-8-15)18-11-10-14-6-5-9-16(17)12-14/h5-6,9,12-13,15,18H,2-4,7-8,10-11H2,1H3
InChIKeySOOXUZGKNVCZCT-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.93
Rot. Bonds5

About 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine

1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 43777654) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
PubChem CID43777654
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C16H24FN/c1-13(15-7-3-2-4-8-15)18-11-10-14-6-5-9-16(17)12-14/h5-6,9,12-13,15,18H,2-4,7-8,10-11H2,1H3
InChIKeySOOXUZGKNVCZCT-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine (CID 43777654) is 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine is CC(NCCc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is SOOXUZGKNVCZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-13(15-7-3-2-4-8-15)18-11-10-14-6-5-9-16(17)12-14/h5-6,9,12-13,15,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine?
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43777654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).