[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine

C14H14FNS — CID 61245088

IUPAC[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1cccc(Sc2ccc(CN)cc2F)c1
InChIInChI=1S/C14H14FNS/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyTUIOAONKYZVNCC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.74
Rot. Bonds3

About [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine

[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 61245088) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
PubChem CID61245088
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1cccc(Sc2ccc(CN)cc2F)c1
InChIInChI=1S/C14H14FNS/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-16)8-13(14)15/h2-8H,9,16H2,1H3
InChIKeyTUIOAONKYZVNCC-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

[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 61242880
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947
3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 61244530
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63818502
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661
1-[3,5-difluoro-4-(3-methylphenyl)sulfanylphenyl]butan-2-amine
CID 63818193

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine (CID 61245088) is [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine is Cc1cccc(Sc2ccc(CN)cc2F)c1.
What is the InChIKey of [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is TUIOAONKYZVNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-16)8-13(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine?
[3-fluoro-4-(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 [3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 61245088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).