2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C15H17F2NO2S — CID 43699655

IUPAC2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCOc1ccc(OC(F)F)c(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C15H17F2NO2S/c1-9-4-7-14(21-9)10(2)18-12-8-11(19-3)5-6-13(12)20-15(16)17/h4-8,10,15,18H,1-3H3
InChIKeyZVZAGMZGKUAPCS-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.84
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 43699655) has the molecular formula C15H17F2NO2S and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID43699655
Molecular FormulaC15H17F2NO2S
Molecular Weight313.37 g/mol
Exact Mass313.09
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCOc1ccc(OC(F)F)c(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C15H17F2NO2S/c1-9-4-7-14(21-9)10(2)18-12-8-11(19-3)5-6-13(12)20-15(16)17/h4-8,10,15,18H,1-3H3
InChIKeyZVZAGMZGKUAPCS-UHFFFAOYSA-N
XLogP4.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 43699655) is 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is COc1ccc(OC(F)F)c(NC(C)c2ccc(C)s2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is ZVZAGMZGKUAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2S/c1-9-4-7-14(21-9)10(2)18-12-8-11(19-3)5-6-13(12)20-15(16)17/h4-8,10,15,18H,1-3H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 313.37 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43699655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).