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

C14H20FNOS — CID 66070630

IUPAC2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(CSc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C14H20FNOS/c1-16-14(11-5-7-17-8-6-11)10-18-13-4-2-3-12(15)9-13/h2-4,9,11,14,16H,5-8,10H2,1H3
InChIKeyTVPCKDJYULYYGS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.93
Rot. Bonds5

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

2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine (PubChem CID 66070630) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
PubChem CID66070630
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(CSc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C14H20FNOS/c1-16-14(11-5-7-17-8-6-11)10-18-13-4-2-3-12(15)9-13/h2-4,9,11,14,16H,5-8,10H2,1H3
InChIKeyTVPCKDJYULYYGS-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.93
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-N-methyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine (CID 66070630) is 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine is CNC(CSc1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine?
The InChIKey is TVPCKDJYULYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-16-14(11-5-7-17-8-6-11)10-18-13-4-2-3-12(15)9-13/h2-4,9,11,14,16H,5-8,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine?
2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine has a molecular weight of 269.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 66070630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).