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

C15H22FNOS — CID 66051934

IUPACN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(CSc1ccccc1F)C1CCOCC1
InChIInChI=1S/C15H22FNOS/c1-2-17-14(12-7-9-18-10-8-12)11-19-15-6-4-3-5-13(15)16/h3-6,12,14,17H,2,7-11H2,1H3
InChIKeyCSSBIOPETLTXDL-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.32
Rot. Bonds6

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

N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine (PubChem CID 66051934) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
PubChem CID66051934
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(CSc1ccccc1F)C1CCOCC1
InChIInChI=1S/C15H22FNOS/c1-2-17-14(12-7-9-18-10-8-12)11-19-15-6-4-3-5-13(15)16/h3-6,12,14,17H,2,7-11H2,1H3
InChIKeyCSSBIOPETLTXDL-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine (CID 66051934) is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine is CCNC(CSc1ccccc1F)C1CCOCC1.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
The InChIKey is CSSBIOPETLTXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-2-17-14(12-7-9-18-10-8-12)11-19-15-6-4-3-5-13(15)16/h3-6,12,14,17H,2,7-11H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine?
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine has a molecular weight of 283.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 66051934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).