2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C17H24FNOS — CID 79910820

IUPAC2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCNC(CSc1ccccc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24FNOS/c1-19-15(12-21-16-6-3-2-5-14(16)18)13-7-10-20-17(11-13)8-4-9-17/h2-3,5-6,13,15,19H,4,7-12H2,1H3
InChIKeyRSVKTCBHZGGJPQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.86
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 79910820) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID79910820
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCNC(CSc1ccccc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24FNOS/c1-19-15(12-21-16-6-3-2-5-14(16)18)13-7-10-20-17(11-13)8-4-9-17/h2-3,5-6,13,15,19H,4,7-12H2,1H3
InChIKeyRSVKTCBHZGGJPQ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035762
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
CID 66051934
N-ethyl-1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66052527
1-(2-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 66052684
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
CID 66052711
2-(2-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66052893
1-(2-fluorophenyl)sulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 66052896
1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 66053068
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 66053666
N-[2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethyl]propan-1-amine
CID 66054032
N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethyl]propan-1-amine
CID 66064925
1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 66066308

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 79910820) is 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is CNC(CSc1ccccc1F)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is RSVKTCBHZGGJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c1-19-15(12-21-16-6-3-2-5-14(16)18)13-7-10-20-17(11-13)8-4-9-17/h2-3,5-6,13,15,19H,4,7-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 309.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 79910820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).