6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine

C23H22FNS — CID 138652843

IUPAC6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
SMILESCN(c1ccc(F)cc1)c1cccc2c1sc1c(C(C)(C)C)cccc12
InChIInChI=1S/C23H22FNS/c1-23(2,3)19-9-5-7-17-18-8-6-10-20(22(18)26-21(17)19)25(4)16-13-11-15(24)12-14-16/h5-14H,1-4H3
InChIKeyWVDNRRWKMYNMLA-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.26
Rot. Bonds2

About 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine

6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine (PubChem CID 138652843) has the molecular formula C23H22FNS and a molecular weight of 363.50 g/mol. Its IUPAC name is 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
PubChem CID138652843
Molecular FormulaC23H22FNS
Molecular Weight363.50 g/mol
Exact Mass363.15
IUPAC Name6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
SMILESCN(c1ccc(F)cc1)c1cccc2c1sc1c(C(C)(C)C)cccc12
InChIInChI=1S/C23H22FNS/c1-23(2,3)19-9-5-7-17-18-8-6-10-20(22(18)26-21(17)19)25(4)16-13-11-15(24)12-14-16/h5-14H,1-4H3
InChIKeyWVDNRRWKMYNMLA-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

N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
CID 138652425
6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 134528026
N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528053
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
N-[2-[1-[3-[dibenzothiophen-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzothiophen-4-amine
CID 134528558
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
7-tert-butyl-N-[2-(6-tert-butyldibenzothiophen-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315922
2-[(6-fluorodibenzothiophen-4-yl)-methylamino]benzonitrile
CID 134528028
2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
CID 115992611

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine?
The IUPAC name of 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine (CID 138652843) is 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine.
What is the SMILES notation for 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine?
The canonical SMILES for 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine is CN(c1ccc(F)cc1)c1cccc2c1sc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine?
The InChIKey is WVDNRRWKMYNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNS/c1-23(2,3)19-9-5-7-17-18-8-6-10-20(22(18)26-21(17)19)25(4)16-13-11-15(24)12-14-16/h5-14H,1-4H3.
What are the key properties of 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine?
6-tert-butyl-N-(4-fluorophenyl)-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 6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine is sourced from PubChem (CID 138652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).