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

C22H18F3NS — CID 154026407

IUPACN-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
SMILESCC(C)c1ccccc1Nc1cccc2c1sc1c(C(F)(F)F)cccc12
InChIInChI=1S/C22H18F3NS/c1-13(2)14-7-3-4-11-18(14)26-19-12-6-9-16-15-8-5-10-17(22(23,24)25)20(15)27-21(16)19/h3-13,26H,1-2H3
InChIKeyJMCFELUXTGBYFA-UHFFFAOYSA-N
MW385.45 g/mol
LogP7.94
Rot. Bonds3

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

N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine (PubChem CID 154026407) has the molecular formula C22H18F3NS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
PubChem CID154026407
Molecular FormulaC22H18F3NS
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
SMILESCC(C)c1ccccc1Nc1cccc2c1sc1c(C(F)(F)F)cccc12
InChIInChI=1S/C22H18F3NS/c1-13(2)14-7-3-4-11-18(14)26-19-12-6-9-16-15-8-5-10-17(22(23,24)25)20(15)27-21(16)19/h3-13,26H,1-2H3
InChIKeyJMCFELUXTGBYFA-UHFFFAOYSA-N
XLogP7.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528053
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
1-N-(2-propan-2-ylphenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981987
N-(2-ethylphenyl)-N-iodo-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 137416442
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline
CID 82300597
3,3,3-trifluoro-2-[(2-propan-2-ylanilino)methyl]propanenitrile
CID 103366917
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine
CID 163666091
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
The IUPAC name of N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine (CID 154026407) is N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine is CC(C)c1ccccc1Nc1cccc2c1sc1c(C(F)(F)F)cccc12.
What is the InChIKey of N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
The InChIKey is JMCFELUXTGBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NS/c1-13(2)14-7-3-4-11-18(14)26-19-12-6-9-16-15-8-5-10-17(22(23,24)25)20(15)27-21(16)19/h3-13,26H,1-2H3.
What are the key properties of N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine?
N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine has a molecular weight of 385.45 g/mol, XLogP of 7.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine is sourced from PubChem (CID 154026407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).