N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine

C13H20FNOS — CID 104793912

IUPACN-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cccc(OC)c1F
InChIInChI=1S/C13H20FNOS/c1-4-15-11(9-17-3)8-10-6-5-7-12(16-2)13(10)14/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyAILURKYWDZYORN-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.72
Rot. Bonds7

About N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine

N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine (PubChem CID 104793912) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
PubChem CID104793912
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cccc(OC)c1F
InChIInChI=1S/C13H20FNOS/c1-4-15-11(9-17-3)8-10-6-5-7-12(16-2)13(10)14/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyAILURKYWDZYORN-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 104794131
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine (CID 104793912) is N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine is CCNC(CSC)Cc1cccc(OC)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine?
The InChIKey is AILURKYWDZYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-4-15-11(9-17-3)8-10-6-5-7-12(16-2)13(10)14/h5-7,11,15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine?
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine has a molecular weight of 257.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 104793912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).