[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine

C14H14FNS — CID 63804900

IUPAC[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine
SMILESCc1cc(Sc2ccccc2F)ccc1CN
InChIInChI=1S/C14H14FNS/c1-10-8-12(7-6-11(10)9-16)17-14-5-3-2-4-13(14)15/h2-8H,9,16H2,1H3
InChIKeyNPUFUZMXTYMBSU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.74
Rot. Bonds3

About [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine

[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine (PubChem CID 63804900) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine
PubChem CID63804900
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine
SMILESCc1cc(Sc2ccccc2F)ccc1CN
InChIInChI=1S/C14H14FNS/c1-10-8-12(7-6-11(10)9-16)17-14-5-3-2-4-13(14)15/h2-8H,9,16H2,1H3
InChIKeyNPUFUZMXTYMBSU-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-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 55154318
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
(2-methyl-4-methylsulfanylphenyl)methanamine
CID 63814506
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247
[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 79517045
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
4-(2-fluorophenyl)sulfanylphenol
CID 91875605
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methylphenyl]methanamine
CID 115479928
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
CID 63404639
2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 63818905

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine?
The IUPAC name of [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine (CID 63804900) is [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine?
The canonical SMILES for [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine is Cc1cc(Sc2ccccc2F)ccc1CN.
What is the InChIKey of [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine?
The InChIKey is NPUFUZMXTYMBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10-8-12(7-6-11(10)9-16)17-14-5-3-2-4-13(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine?
[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]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 [4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine is sourced from PubChem (CID 63804900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).