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

C24H22F3NOS — CID 134528044

IUPAC6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C(C)(C)C)cccc12
InChIInChI=1S/C24H22F3NOS/c1-23(2,3)17-11-7-9-15-16-10-8-13-19(22(16)30-21(15)17)28(4)18-12-5-6-14-20(18)29-24(25,26)27/h5-14H,1-4H3
InChIKeyORRBMHOOGOOUQI-UHFFFAOYSA-N
MW429.51 g/mol
LogP8.02
Rot. Bonds3

About 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (PubChem CID 134528044) has the molecular formula C24H22F3NOS and a molecular weight of 429.51 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
PubChem CID134528044
Molecular FormulaC24H22F3NOS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C(C)(C)C)cccc12
InChIInChI=1S/C24H22F3NOS/c1-23(2,3)17-11-7-9-15-16-10-8-13-19(22(16)30-21(15)17)28(4)18-12-5-6-14-20(18)29-24(25,26)27/h5-14H,1-4H3
InChIKeyORRBMHOOGOOUQI-UHFFFAOYSA-N
XLogP8.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (CID 134528044) is 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The InChIKey is ORRBMHOOGOOUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NOS/c1-23(2,3)17-11-7-9-15-16-10-8-13-19(22(16)30-21(15)17)28(4)18-12-5-6-14-20(18)29-24(25,26)27/h5-14H,1-4H3.
What are the key properties of 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine has a molecular weight of 429.51 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 134528044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).