[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite

C9H12FNOS — CID 150215237

IUPAC[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
SMILESCOc1cccc(C(C)(N)SF)c1
InChIInChI=1S/C9H12FNOS/c1-9(11,13-10)7-4-3-5-8(6-7)12-2/h3-6H,11H2,1-2H3
InChIKeyFSIJSEUDFOEVNT-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.44
Rot. Bonds3

About [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite

[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite (PubChem CID 150215237) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite.

Molecular Properties

Compound Name[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
PubChem CID150215237
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
SMILESCOc1cccc(C(C)(N)SF)c1
InChIInChI=1S/C9H12FNOS/c1-9(11,13-10)7-4-3-5-8(6-7)12-2/h3-6H,11H2,1-2H3
InChIKeyFSIJSEUDFOEVNT-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453

Frequently Asked Questions

What is the IUPAC name of [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite?
The IUPAC name of [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite (CID 150215237) is [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite.
What is the SMILES notation for [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite?
The canonical SMILES for [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite is COc1cccc(C(C)(N)SF)c1.
What is the InChIKey of [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite?
The InChIKey is FSIJSEUDFOEVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-9(11,13-10)7-4-3-5-8(6-7)12-2/h3-6H,11H2,1-2H3.
What are the key properties of [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite?
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite has a molecular weight of 201.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite is sourced from PubChem (CID 150215237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).