5-fluoro-2-methoxy-4-propylsulfanylaniline

C10H14FNOS — CID 107260157

IUPAC5-fluoro-2-methoxy-4-propylsulfanylaniline
SMILESCCCSc1cc(OC)c(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-3-4-14-10-6-9(13-2)8(12)5-7(10)11/h5-6H,3-4,12H2,1-2H3
InChIKeyVGSJKNJOXRZKCI-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.92
Rot. Bonds4

About 5-fluoro-2-methoxy-4-propylsulfanylaniline

5-fluoro-2-methoxy-4-propylsulfanylaniline (PubChem CID 107260157) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-propylsulfanylaniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-propylsulfanylaniline
PubChem CID107260157
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name5-fluoro-2-methoxy-4-propylsulfanylaniline
SMILESCCCSc1cc(OC)c(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-3-4-14-10-6-9(13-2)8(12)5-7(10)11/h5-6H,3-4,12H2,1-2H3
InChIKeyVGSJKNJOXRZKCI-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(diethylamino)ethylsulfanyl]-5-fluoro-2-methoxyaniline
CID 107260210
5-fluoro-2-methyl-4-propylsulfanylaniline
CID 130589847
ethyl 2-(4-amino-2-fluoro-5-methoxyphenyl)sulfanylacetate
CID 107260171
2-methoxy-5-propylsulfanylaniline
CID 97035009
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
5-fluoro-2-methoxy-4-(oxolan-2-ylmethylsulfanyl)aniline
CID 107260230
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
1-[4-(2-aminoethylsulfanyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-methoxy-4-propylsulfanyl-5-(trifluoromethyl)phenyl]propan-2-one
CID 159853489
2-ethylsulfanyl-4,5-dimethoxyaniline
CID 12694267

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-propylsulfanylaniline?
The IUPAC name of 5-fluoro-2-methoxy-4-propylsulfanylaniline (CID 107260157) is 5-fluoro-2-methoxy-4-propylsulfanylaniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-propylsulfanylaniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-propylsulfanylaniline is CCCSc1cc(OC)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-methoxy-4-propylsulfanylaniline?
The InChIKey is VGSJKNJOXRZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-3-4-14-10-6-9(13-2)8(12)5-7(10)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-propylsulfanylaniline?
5-fluoro-2-methoxy-4-propylsulfanylaniline has a molecular weight of 215.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-propylsulfanylaniline is sourced from PubChem (CID 107260157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).