1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol

C14H21FN2OS — CID 106325448

IUPAC1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
SMILESOC(CNCCN1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c15-13-3-1-12(2-4-13)14(18)11-16-5-6-17-7-9-19-10-8-17/h1-4,14,16,18H,5-11H2
InChIKeyAPABXQXQJAOQOX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.50
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol

1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol (PubChem CID 106325448) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
PubChem CID106325448
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
SMILESOC(CNCCN1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c15-13-3-1-12(2-4-13)14(18)11-16-5-6-17-7-9-19-10-8-17/h1-4,14,16,18H,5-11H2
InChIKeyAPABXQXQJAOQOX-UHFFFAOYSA-N
XLogP1.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635
1-(1,3-benzodioxol-5-yl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325129
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
CID 115279452
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479
1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
CID 60970497
3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
CID 106325271
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol
CID 106221436
1-(4-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187755
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol (CID 106325448) is 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol is OC(CNCCN1CCSCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol?
The InChIKey is APABXQXQJAOQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c15-13-3-1-12(2-4-13)14(18)11-16-5-6-17-7-9-19-10-8-17/h1-4,14,16,18H,5-11H2.
What are the key properties of 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol?
1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol has a molecular weight of 284.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol is sourced from PubChem (CID 106325448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).