N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine

C18H26FN — CID 43633190

IUPACN-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
SMILESFc1ccccc1C1CC(NC2CCCCCCC2)C1
InChIInChI=1S/C18H26FN/c19-18-11-7-6-10-17(18)14-12-16(13-14)20-15-8-4-2-1-3-5-9-15/h6-7,10-11,14-16,20H,1-5,8-9,12-13H2
InChIKeyVBDNKAAZAFMKOI-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.77
Rot. Bonds3

About N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine

N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine (PubChem CID 43633190) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
PubChem CID43633190
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
SMILESFc1ccccc1C1CC(NC2CCCCCCC2)C1
InChIInChI=1S/C18H26FN/c19-18-11-7-6-10-17(18)14-12-16(13-14)20-15-8-4-2-1-3-5-9-15/h6-7,10-11,14-16,20H,1-5,8-9,12-13H2
InChIKeyVBDNKAAZAFMKOI-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine (CID 43633190) is N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine is Fc1ccccc1C1CC(NC2CCCCCCC2)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine?
The InChIKey is VBDNKAAZAFMKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c19-18-11-7-6-10-17(18)14-12-16(13-14)20-15-8-4-2-1-3-5-9-15/h6-7,10-11,14-16,20H,1-5,8-9,12-13H2.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine?
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine has a molecular weight of 275.41 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine is sourced from PubChem (CID 43633190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).