N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

C21H16F3NOS — CID 138652835

IUPACN,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)c3ccc(OC(F)(F)F)cc3)cccc12
InChIInChI=1S/C21H16F3NOS/c1-13-5-3-6-16-17-7-4-8-18(20(17)27-19(13)16)25(2)14-9-11-15(12-10-14)26-21(22,23)24/h3-12H,1-2H3
InChIKeyPJIUTTHSNAPBFC-UHFFFAOYSA-N
MW387.43 g/mol
LogP7.03
Rot. Bonds3

About N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (PubChem CID 138652835) has the molecular formula C21H16F3NOS and a molecular weight of 387.43 g/mol. Its IUPAC name is N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
PubChem CID138652835
Molecular FormulaC21H16F3NOS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)c3ccc(OC(F)(F)F)cc3)cccc12
InChIInChI=1S/C21H16F3NOS/c1-13-5-3-6-16-17-7-4-8-18(20(17)27-19(13)16)25(2)14-9-11-15(12-10-14)26-21(22,23)24/h3-12H,1-2H3
InChIKeyPJIUTTHSNAPBFC-UHFFFAOYSA-N
XLogP7.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
CID 16721089
3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593338
N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 134528005
N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 134528018
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 134528027
6-[N-methyl-2-(trifluoromethoxy)anilino]dibenzothiophene-4-carbonitrile
CID 134528036
6-tert-butyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 134528044
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528052
6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 134528065
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 137416018
N-iodo-6-propan-2-yl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 137416040
N-iodo-6-methyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
CID 137416086

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (CID 138652835) is N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is Cc1cccc2c1sc1c(N(C)c3ccc(OC(F)(F)F)cc3)cccc12.
What is the InChIKey of N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The InChIKey is PJIUTTHSNAPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NOS/c1-13-5-3-6-16-17-7-4-8-18(20(17)27-19(13)16)25(2)14-9-11-15(12-10-14)26-21(22,23)24/h3-12H,1-2H3.
What are the key properties of N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine has a molecular weight of 387.43 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 138652835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).