N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine

C23H20F3NS — CID 134528053

IUPACN-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
SMILESCC(C)c1ccccc1N(C)c1cccc2c1sc1c(C(F)(F)F)cccc12
InChIInChI=1S/C23H20F3NS/c1-14(2)15-8-4-5-12-19(15)27(3)20-13-7-10-17-16-9-6-11-18(23(24,25)26)21(16)28-22(17)20/h4-14H,1-3H3
InChIKeyQKGNRLGORLLEJG-UHFFFAOYSA-N
MW399.48 g/mol
LogP7.96
Rot. Bonds3

About N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine

N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine (PubChem CID 134528053) has the molecular formula C23H20F3NS and a molecular weight of 399.48 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
PubChem CID134528053
Molecular FormulaC23H20F3NS
Molecular Weight399.48 g/mol
Exact Mass399.13
IUPAC NameN-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
SMILESCC(C)c1ccccc1N(C)c1cccc2c1sc1c(C(F)(F)F)cccc12
InChIInChI=1S/C23H20F3NS/c1-14(2)15-8-4-5-12-19(15)27(3)20-13-7-10-17-16-9-6-11-18(23(24,25)26)21(16)28-22(17)20/h4-14H,1-3H3
InChIKeyQKGNRLGORLLEJG-UHFFFAOYSA-N
XLogP7.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
CID 134528013
6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 134528026
N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 154026407
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513
N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
N-(2-ethylphenyl)-N-iodo-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 137416442
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
2-[iodo-[6-(trifluoromethyl)dibenzothiophen-4-yl]amino]benzonitrile
CID 137416573
6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
CID 138652843
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
N-iodo-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 146857713
N,N-di(phenanthren-9-yl)-6-propan-2-yldibenzothiophen-4-amine
CID 129118397

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
The IUPAC name of N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine (CID 134528053) is N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
The canonical SMILES for N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine is CC(C)c1ccccc1N(C)c1cccc2c1sc1c(C(F)(F)F)cccc12.
What is the InChIKey of N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
The InChIKey is QKGNRLGORLLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NS/c1-14(2)15-8-4-5-12-19(15)27(3)20-13-7-10-17-16-9-6-11-18(23(24,25)26)21(16)28-22(17)20/h4-14H,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine has a molecular weight of 399.48 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine is sourced from PubChem (CID 134528053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).