N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine

C16H24FNS — CID 64620707

IUPACN-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C16H24FNS/c1-2-18-15-7-5-3-4-6-8-16(15)19-14-11-9-13(17)10-12-14/h9-12,15-16,18H,2-8H2,1H3
InChIKeyOTJBJFDWLVCXIJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.62
Rot. Bonds4

About N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine

N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine (PubChem CID 64620707) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
PubChem CID64620707
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C16H24FNS/c1-2-18-15-7-5-3-4-6-8-16(15)19-14-11-9-13(17)10-12-14/h9-12,15-16,18H,2-8H2,1H3
InChIKeyOTJBJFDWLVCXIJ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine (CID 64620707) is N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine is CCNC1CCCCCCC1Sc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine?
The InChIKey is OTJBJFDWLVCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-2-18-15-7-5-3-4-6-8-16(15)19-14-11-9-13(17)10-12-14/h9-12,15-16,18H,2-8H2,1H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine?
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine is sourced from PubChem (CID 64620707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).