N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine

C16H24FNOS — CID 107136501

IUPACN-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(F)cc1)C1CCCOC1
InChIInChI=1S/C16H24FNOS/c1-2-9-18-16(13-4-3-10-19-11-13)12-20-15-7-5-14(17)6-8-15/h5-8,13,16,18H,2-4,9-12H2,1H3
InChIKeyGFYIDMUXEDUEKR-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 107136501) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID107136501
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC NameN-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(F)cc1)C1CCCOC1
InChIInChI=1S/C16H24FNOS/c1-2-9-18-16(13-4-3-10-19-11-13)12-20-15-7-5-14(17)6-8-15/h5-8,13,16,18H,2-4,9-12H2,1H3
InChIKeyGFYIDMUXEDUEKR-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine (CID 107136501) is N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(CSc1ccc(F)cc1)C1CCCOC1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is GFYIDMUXEDUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-2-9-18-16(13-4-3-10-19-11-13)12-20-15-7-5-14(17)6-8-15/h5-8,13,16,18H,2-4,9-12H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107136501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).