N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline

C15H15F2NOS — CID 43683398

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccccc1OC(F)F
InChIInChI=1S/C15H15F2NOS/c1-20-14-9-5-3-7-12(14)18-10-11-6-2-4-8-13(11)19-15(16)17/h2-9,15,18H,10H2,1H3
InChIKeyHXNBVQGWZQVVFW-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.62
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline

N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline (PubChem CID 43683398) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
PubChem CID43683398
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccccc1OC(F)F
InChIInChI=1S/C15H15F2NOS/c1-20-14-9-5-3-7-12(14)18-10-11-6-2-4-8-13(11)19-15(16)17/h2-9,15,18H,10H2,1H3
InChIKeyHXNBVQGWZQVVFW-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-nitroaniline
CID 78883004
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
3-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylbenzonitrile
CID 62103912

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline (CID 43683398) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline is CSc1ccccc1NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline?
The InChIKey is HXNBVQGWZQVVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-20-14-9-5-3-7-12(14)18-10-11-6-2-4-8-13(11)19-15(16)17/h2-9,15,18H,10H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline has a molecular weight of 295.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline is sourced from PubChem (CID 43683398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).