[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine

C10H14FNOS — CID 107686331

IUPAC[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
SMILESCSCCOc1ccc(CN)cc1F
InChIInChI=1S/C10H14FNOS/c1-14-5-4-13-10-3-2-8(7-12)6-9(10)11/h2-3,6H,4-5,7,12H2,1H3
InChIKeyNJCOURBUCIPOFN-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.03
Rot. Bonds5

About [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine

[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine (PubChem CID 107686331) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
PubChem CID107686331
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
SMILESCSCCOc1ccc(CN)cc1F
InChIInChI=1S/C10H14FNOS/c1-14-5-4-13-10-3-2-8(7-12)6-9(10)11/h2-3,6H,4-5,7,12H2,1H3
InChIKeyNJCOURBUCIPOFN-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
2-[3-fluoro-4-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 107692627
2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
CID 156509242
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine (CID 107686331) is [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine is CSCCOc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine?
The InChIKey is NJCOURBUCIPOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-14-5-4-13-10-3-2-8(7-12)6-9(10)11/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine?
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine has a molecular weight of 215.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine is sourced from PubChem (CID 107686331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).