[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine

C14H14FNOS — CID 113385374

IUPAC[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
SMILESCSc1cccc(Oc2cccc(F)c2)c1CN
InChIInChI=1S/C14H14FNOS/c1-18-14-7-3-6-13(12(14)9-16)17-11-5-2-4-10(15)8-11/h2-8H,9,16H2,1H3
InChIKeyYRALAJLZNNZACY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.80
Rot. Bonds4

About [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine

[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine (PubChem CID 113385374) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
PubChem CID113385374
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
SMILESCSc1cccc(Oc2cccc(F)c2)c1CN
InChIInChI=1S/C14H14FNOS/c1-18-14-7-3-6-13(12(14)9-16)17-11-5-2-4-10(15)8-11/h2-8H,9,16H2,1H3
InChIKeyYRALAJLZNNZACY-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
CID 103174316
[2-(3-fluorophenoxy)phenyl]boronic acid
CID 69091100
[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966246
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
1-fluoro-3-(4-methylsulfanylphenoxy)benzene
CID 138722497
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine?
The IUPAC name of [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine (CID 113385374) is [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine.
What is the SMILES notation for [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine?
The canonical SMILES for [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine is CSc1cccc(Oc2cccc(F)c2)c1CN.
What is the InChIKey of [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine?
The InChIKey is YRALAJLZNNZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-18-14-7-3-6-13(12(14)9-16)17-11-5-2-4-10(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine?
[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine is sourced from PubChem (CID 113385374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).