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

C11H16FNOS — CID 63070443

IUPAC2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine
SMILESCCOC(CN)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-2-14-10(7-13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyOIOWNJOZLAWOSD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.28
Rot. Bonds6

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

2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine (PubChem CID 63070443) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine
PubChem CID63070443
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine
SMILESCCOC(CN)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-2-14-10(7-13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyOIOWNJOZLAWOSD-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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Related Compounds

2-ethoxy-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 63070071
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
ethyl 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoate
CID 82775915
2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
CID 105484979
2-ethoxy-4-(4-fluorophenyl)sulfanylbutanoic acid
CID 63100133
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethoxypropan-1-amine
CID 63404886
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine?
The IUPAC name of 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine (CID 63070443) is 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine?
The canonical SMILES for 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine is CCOC(CN)CSc1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine?
The InChIKey is OIOWNJOZLAWOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-2-14-10(7-13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine?
2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-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 2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 63070443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).