1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine

C14H20FNOS — CID 55261362

IUPAC1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1SC1CCOCC1
InChIInChI=1S/C14H20FNOS/c1-10(16)8-11-9-12(15)2-3-14(11)18-13-4-6-17-7-5-13/h2-3,9-10,13H,4-8,16H2,1H3
InChIKeyZUAQDHPMWMAZMV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.99
Rot. Bonds4

About 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine

1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine (PubChem CID 55261362) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine
PubChem CID55261362
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1SC1CCOCC1
InChIInChI=1S/C14H20FNOS/c1-10(16)8-11-9-12(15)2-3-14(11)18-13-4-6-17-7-5-13/h2-3,9-10,13H,4-8,16H2,1H3
InChIKeyZUAQDHPMWMAZMV-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine 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 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine (CID 55261362) is 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1SC1CCOCC1.
What is the InChIKey of 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine?
The InChIKey is ZUAQDHPMWMAZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-10(16)8-11-9-12(15)2-3-14(11)18-13-4-6-17-7-5-13/h2-3,9-10,13H,4-8,16H2,1H3.
What are the key properties of 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine?
1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine is sourced from PubChem (CID 55261362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).