N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

C20H14F3NOS — CID 134528005

IUPACN-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1ccccc12
InChIInChI=1S/C20H14F3NOS/c1-24(15-9-3-4-11-17(15)25-20(21,22)23)16-10-6-8-14-13-7-2-5-12-18(13)26-19(14)16/h2-12H,1H3
InChIKeyMXGQNIZDVGFYOD-UHFFFAOYSA-N
MW373.40 g/mol
LogP6.72
Rot. Bonds3

About N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (PubChem CID 134528005) has the molecular formula C20H14F3NOS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
PubChem CID134528005
Molecular FormulaC20H14F3NOS
Molecular Weight373.40 g/mol
Exact Mass373.07
IUPAC NameN-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1ccccc12
InChIInChI=1S/C20H14F3NOS/c1-24(15-9-3-4-11-17(15)25-20(21,22)23)16-10-6-8-14-13-7-2-5-12-18(13)26-19(14)16/h2-12H,1H3
InChIKeyMXGQNIZDVGFYOD-UHFFFAOYSA-N
XLogP6.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (CID 134528005) is N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1ccccc12.
What is the InChIKey of N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The InChIKey is MXGQNIZDVGFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NOS/c1-24(15-9-3-4-11-17(15)25-20(21,22)23)16-10-6-8-14-13-7-2-5-12-18(13)26-19(14)16/h2-12H,1H3.
What are the key properties of N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine has a molecular weight of 373.40 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 134528005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).