1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine

C16H24FNS — CID 107009286

IUPAC1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
SMILESC=CCCCCCC(CSc1ccc(F)cc1)NC
InChIInChI=1S/C16H24FNS/c1-3-4-5-6-7-8-15(18-2)13-19-16-11-9-14(17)10-12-16/h3,9-12,15,18H,1,4-8,13H2,2H3
InChIKeyKRKLJOCVMLCIFV-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.64
Rot. Bonds10

About 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine

1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine (PubChem CID 107009286) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
PubChem CID107009286
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
SMILESC=CCCCCCC(CSc1ccc(F)cc1)NC
InChIInChI=1S/C16H24FNS/c1-3-4-5-6-7-8-15(18-2)13-19-16-11-9-14(17)10-12-16/h3,9-12,15,18H,1,4-8,13H2,2H3
InChIKeyKRKLJOCVMLCIFV-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66070643
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
CID 107011903

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine (CID 107009286) is 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine is C=CCCCCCC(CSc1ccc(F)cc1)NC.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine?
The InChIKey is KRKLJOCVMLCIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-3-4-5-6-7-8-15(18-2)13-19-16-11-9-14(17)10-12-16/h3,9-12,15,18H,1,4-8,13H2,2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine?
1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine is sourced from PubChem (CID 107009286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).