[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine

C14H14FNS — CID 79515180

IUPAC[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1cccc(Sc2cccc(F)c2CN)c1
InChIInChI=1S/C14H14FNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyRJPBYRYLXSEQLV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.74
Rot. Bonds3

About [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine

[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 79515180) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
PubChem CID79515180
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1cccc(Sc2cccc(F)c2CN)c1
InChIInChI=1S/C14H14FNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyRJPBYRYLXSEQLV-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 79517045
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-fluoro-3-(3-methylphenyl)sulfanyl-2-nitrobenzene
CID 62688959
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine
CID 64588783
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-fluorophenyl]methanamine
CID 79517455
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine (CID 79515180) is [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine is Cc1cccc(Sc2cccc(F)c2CN)c1.
What is the InChIKey of [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is RJPBYRYLXSEQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine?
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 79515180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).