1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine

C16H17F2NS — CID 105408442

IUPAC1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C16H17F2NS/c1-11-3-4-12(10-19-2)9-15(11)13-5-7-14(8-6-13)20-16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyDBEVZDAFDNYDRX-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.70
Rot. Bonds5

About 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine

1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine (PubChem CID 105408442) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine
PubChem CID105408442
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C16H17F2NS/c1-11-3-4-12(10-19-2)9-15(11)13-5-7-14(8-6-13)20-16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyDBEVZDAFDNYDRX-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine
CID 61033088
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
N-[[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]methyl]propan-1-amine
CID 63424924
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
4-[4-(difluoromethylsulfanyl)phenyl]-2-methylaniline
CID 54912624
N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
CID 105409209
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine (CID 105408442) is 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(-c2ccc(SC(F)F)cc2)c1.
What is the InChIKey of 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine?
The InChIKey is DBEVZDAFDNYDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-11-3-4-12(10-19-2)9-15(11)13-5-7-14(8-6-13)20-16(17)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine?
1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine has a molecular weight of 293.38 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105408442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).