2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine

C14H21FN2S — CID 114238550

IUPAC2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
SMILESCSC1CCN(c2ccc(F)cc2CCN)CC1
InChIInChI=1S/C14H21FN2S/c1-18-13-5-8-17(9-6-13)14-3-2-12(15)10-11(14)4-7-16/h2-3,10,13H,4-9,16H2,1H3
InChIKeyOVMZTPUVVFHTIK-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine

2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 114238550) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
PubChem CID114238550
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
SMILESCSC1CCN(c2ccc(F)cc2CCN)CC1
InChIInChI=1S/C14H21FN2S/c1-18-13-5-8-17(9-6-13)14-3-2-12(15)10-11(14)4-7-16/h2-3,10,13H,4-9,16H2,1H3
InChIKeyOVMZTPUVVFHTIK-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine (CID 114238550) is 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine is CSC1CCN(c2ccc(F)cc2CCN)CC1.
What is the InChIKey of 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is OVMZTPUVVFHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-18-13-5-8-17(9-6-13)14-3-2-12(15)10-11(14)4-7-16/h2-3,10,13H,4-9,16H2,1H3.
What are the key properties of 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114238550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).