(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine

C13H18FNOS — CID 55183002

IUPAC(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(SC2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FNOS/c1-9(15)10-2-3-13(12(14)8-10)17-11-4-6-16-7-5-11/h2-3,8-9,11H,4-7,15H2,1H3/t9-/m1/s1
InChIKeyGWYXLVRDEUWCPI-SECBINFHSA-N
MW255.36 g/mol
LogP3.12
Rot. Bonds3

About (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine (PubChem CID 55183002) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
PubChem CID55183002
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(SC2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FNOS/c1-9(15)10-2-3-13(12(14)8-10)17-11-4-6-16-7-5-11/h2-3,8-9,11H,4-7,15H2,1H3/t9-/m1/s1
InChIKeyGWYXLVRDEUWCPI-SECBINFHSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine (CID 55183002) is (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine is C[C@@H](N)c1ccc(SC2CCOCC2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The InChIKey is GWYXLVRDEUWCPI-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-9(15)10-2-3-13(12(14)8-10)17-11-4-6-16-7-5-11/h2-3,8-9,11H,4-7,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 55183002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).