2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

C15H15F2NS — CID 82815913

IUPAC2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C15H15F2NS/c1-10-3-8-13(16)15(14(10)17)18-9-11-4-6-12(19-2)7-5-11/h3-8,18H,9H2,1-2H3
InChIKeyQIVWQQFCLTYMIO-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.61
Rot. Bonds4

About 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 82815913) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID82815913
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C15H15F2NS/c1-10-3-8-13(16)15(14(10)17)18-9-11-4-6-12(19-2)7-5-11/h3-8,18H,9H2,1-2H3
InChIKeyQIVWQQFCLTYMIO-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (CID 82815913) is 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is CSc1ccc(CNc2c(F)ccc(C)c2F)cc1.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is QIVWQQFCLTYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10-3-8-13(16)15(14(10)17)18-9-11-4-6-12(19-2)7-5-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 279.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 82815913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).