[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine

C15H14F3NS — CID 61245087

IUPAC[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccc(Sc2ccc(C(F)(F)F)cc2CN)c1
InChIInChI=1S/C15H14F3NS/c1-10-3-2-4-13(7-10)20-14-6-5-12(15(16,17)18)8-11(14)9-19/h2-8H,9,19H2,1H3
InChIKeyAWYNWYZXJHZKOY-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.62
Rot. Bonds3

About [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine

[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 61245087) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
PubChem CID61245087
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccc(Sc2ccc(C(F)(F)F)cc2CN)c1
InChIInChI=1S/C15H14F3NS/c1-10-3-2-4-13(7-10)20-14-6-5-12(15(16,17)18)8-11(14)9-19/h2-8H,9,19H2,1H3
InChIKeyAWYNWYZXJHZKOY-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine (CID 61245087) is [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine is Cc1cccc(Sc2ccc(C(F)(F)F)cc2CN)c1.
What is the InChIKey of [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AWYNWYZXJHZKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c1-10-3-2-4-13(7-10)20-14-6-5-12(15(16,17)18)8-11(14)9-19/h2-8H,9,19H2,1H3.
What are the key properties of [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine?
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61245087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).