N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine

C13H21FN2S — CID 65135758

IUPACN-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)c1cncc(F)c1
InChIInChI=1S/C13H21FN2S/c1-4-16-13(9-17-8-10(2)3)11-5-12(14)7-15-6-11/h5-7,10,13,16H,4,8-9H2,1-3H3
InChIKeyWEDAYLUTZHEDKM-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine

N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 65135758) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID65135758
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)c1cncc(F)c1
InChIInChI=1S/C13H21FN2S/c1-4-16-13(9-17-8-10(2)3)11-5-12(14)7-15-6-11/h5-7,10,13,16H,4,8-9H2,1-3H3
InChIKeyWEDAYLUTZHEDKM-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine (CID 65135758) is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine is CCNC(CSCC(C)C)c1cncc(F)c1.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is WEDAYLUTZHEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-4-16-13(9-17-8-10(2)3)11-5-12(14)7-15-6-11/h5-7,10,13,16H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine?
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 256.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 65135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).