N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine

C23H22FNS — CID 134528024

IUPACN-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
SMILESCN(c1ccccc1C(C)(C)C)c1cccc2c1sc1c(F)cccc12
InChIInChI=1S/C23H22FNS/c1-23(2,3)17-11-5-6-13-19(17)25(4)20-14-8-10-16-15-9-7-12-18(24)21(15)26-22(16)20/h5-14H,1-4H3
InChIKeyGMDSIMGXDFLQDB-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.26
Rot. Bonds2

About N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine

N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine (PubChem CID 134528024) has the molecular formula C23H22FNS and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
PubChem CID134528024
Molecular FormulaC23H22FNS
Molecular Weight363.50 g/mol
Exact Mass363.15
IUPAC NameN-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
SMILESCN(c1ccccc1C(C)(C)C)c1cccc2c1sc1c(F)cccc12
InChIInChI=1S/C23H22FNS/c1-23(2,3)17-11-5-6-13-19(17)25(4)20-14-8-10-16-15-9-7-12-18(24)21(15)26-22(16)20/h5-14H,1-4H3
InChIKeyGMDSIMGXDFLQDB-UHFFFAOYSA-N
XLogP7.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 134528026
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
CID 138652843
2-[(6-fluorodibenzothiophen-4-yl)-methylamino]benzonitrile
CID 134528028
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
N-[2-[1-[3-[dibenzothiophen-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzothiophen-4-amine
CID 134528558
N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528053
1-tert-butyl-5-fluoronaphthalene
CID 14176344
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513
N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
CID 134528013
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
N-(2-ethylphenyl)-N-iodo-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 137416442

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine?
The IUPAC name of N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine (CID 134528024) is N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine is CN(c1ccccc1C(C)(C)C)c1cccc2c1sc1c(F)cccc12.
What is the InChIKey of N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine?
The InChIKey is GMDSIMGXDFLQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNS/c1-23(2,3)17-11-5-6-13-19(17)25(4)20-14-8-10-16-15-9-7-12-18(24)21(15)26-22(16)20/h5-14H,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine?
N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine has a molecular weight of 363.50 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine is sourced from PubChem (CID 134528024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).