2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine

C13H18FNOS — CID 66072627

IUPAC2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
SMILESNC(CSc1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C13H18FNOS/c14-11-1-3-12(4-2-11)17-9-13(15)10-5-7-16-8-6-10/h1-4,10,13H,5-9,15H2
InChIKeyLAYNTEYPIPKLJK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine

2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine (PubChem CID 66072627) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
PubChem CID66072627
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
SMILESNC(CSc1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C13H18FNOS/c14-11-1-3-12(4-2-11)17-9-13(15)10-5-7-16-8-6-10/h1-4,10,13H,5-9,15H2
InChIKeyLAYNTEYPIPKLJK-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine (CID 66072627) is 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine is NC(CSc1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The InChIKey is LAYNTEYPIPKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-1-3-12(4-2-11)17-9-13(15)10-5-7-16-8-6-10/h1-4,10,13H,5-9,15H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 66072627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).