2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine

C11H16FNOS — CID 143236248

IUPAC2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCC(F)CSO)c1ccccc1
InChIInChI=1S/C11H16FNOS/c1-9(10-5-3-2-4-6-10)13-7-11(12)8-15-14/h2-6,9,11,13-14H,7-8H2,1H3
InChIKeyVDGJQAQEUFZART-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.88
Rot. Bonds6

About 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine

2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine (PubChem CID 143236248) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine
PubChem CID143236248
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCC(F)CSO)c1ccccc1
InChIInChI=1S/C11H16FNOS/c1-9(10-5-3-2-4-6-10)13-7-11(12)8-15-14/h2-6,9,11,13-14H,7-8H2,1H3
InChIKeyVDGJQAQEUFZART-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-[[(1R)-1-phenylethyl]amino]propane-1-sulfonic acid
CID 58692033
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
2-[(1-phenylethylamino)methyl]phenol
CID 3669487

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine (CID 143236248) is 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine is CC(NCC(F)CSO)c1ccccc1.
What is the InChIKey of 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine?
The InChIKey is VDGJQAQEUFZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-9(10-5-3-2-4-6-10)13-7-11(12)8-15-14/h2-6,9,11,13-14H,7-8H2,1H3.
What are the key properties of 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine?
2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxysulfanyl-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 143236248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).