1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine

C11H16FNOS — CID 79574438

IUPAC1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESCCOCC(N)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-2-14-7-10(13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyUYPJBVRTNQLIQQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.28
Rot. Bonds6

About 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine

1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 79574438) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine
PubChem CID79574438
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESCCOCC(N)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-2-14-7-10(13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyUYPJBVRTNQLIQQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine (CID 79574438) is 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine is CCOCC(N)CSc1ccc(F)cc1.
What is the InChIKey of 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is UYPJBVRTNQLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-2-14-7-10(13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine?
1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 79574438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).