1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine

C15H15F2NS — CID 61033088

IUPAC1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1-c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H15F2NS/c1-18-10-12-4-2-3-5-14(12)11-6-8-13(9-7-11)19-15(16)17/h2-9,15,18H,10H2,1H3
InChIKeyRRERGZQWUFOHOX-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine

1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 61033088) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine
PubChem CID61033088
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1-c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H15F2NS/c1-18-10-12-4-2-3-5-14(12)11-6-8-13(9-7-11)19-15(16)17/h2-9,15,18H,10H2,1H3
InChIKeyRRERGZQWUFOHOX-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine (CID 61033088) is 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine is CNCc1ccccc1-c1ccc(SC(F)F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is RRERGZQWUFOHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-18-10-12-4-2-3-5-14(12)11-6-8-13(9-7-11)19-15(16)17/h2-9,15,18H,10H2,1H3.
What are the key properties of 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine?
1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61033088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).