2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine

C12H16ClFN2S — CID 43210624

IUPAC2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCSCC1
InChIInChI=1S/C12H16ClFN2S/c13-9-2-1-3-10(14)12(9)11(8-15)16-4-6-17-7-5-16/h1-3,11H,4-8,15H2
InChIKeyAPYFHBOBESXOOI-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.53
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine

2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine (PubChem CID 43210624) has the molecular formula C12H16ClFN2S and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine
PubChem CID43210624
Molecular FormulaC12H16ClFN2S
Molecular Weight274.79 g/mol
Exact Mass274.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCSCC1
InChIInChI=1S/C12H16ClFN2S/c13-9-2-1-3-10(14)12(9)11(8-15)16-4-6-17-7-5-16/h1-3,11H,4-8,15H2
InChIKeyAPYFHBOBESXOOI-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine (CID 43210624) is 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine is NCC(c1c(F)cccc1Cl)N1CCSCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is APYFHBOBESXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2S/c13-9-2-1-3-10(14)12(9)11(8-15)16-4-6-17-7-5-16/h1-3,11H,4-8,15H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine?
2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 274.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 43210624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).