2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine

C13H18FNOS — CID 66070237

IUPAC2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
SMILESNC(CSc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C13H18FNOS/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,9,15H2
InChIKeyMNILUZRZRXBCJS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine

2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine (PubChem CID 66070237) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
PubChem CID66070237
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
SMILESNC(CSc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C13H18FNOS/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,9,15H2
InChIKeyMNILUZRZRXBCJS-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-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine (CID 66070237) is 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine is NC(CSc1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The InChIKey is MNILUZRZRXBCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,9,15H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
2-(3-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-(3-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 66070237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).