N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine

C21H16F3NS — CID 23593256

IUPACN,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
SMILESCc1ccc2sc3ccc(N(C)c4ccc(C(F)(F)F)cc4)cc3c2c1
InChIInChI=1S/C21H16F3NS/c1-13-3-9-19-17(11-13)18-12-16(8-10-20(18)26-19)25(2)15-6-4-14(5-7-15)21(22,23)24/h3-12H,1-2H3
InChIKeyWAXFLSYDMBXQIH-UHFFFAOYSA-N
MW371.43 g/mol
LogP7.15
Rot. Bonds2

About N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine

N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine (PubChem CID 23593256) has the molecular formula C21H16F3NS and a molecular weight of 371.43 g/mol. Its IUPAC name is N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
PubChem CID23593256
Molecular FormulaC21H16F3NS
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC NameN,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
SMILESCc1ccc2sc3ccc(N(C)c4ccc(C(F)(F)F)cc4)cc3c2c1
InChIInChI=1S/C21H16F3NS/c1-13-3-9-19-17(11-13)18-12-16(8-10-20(18)26-19)25(2)15-6-4-14(5-7-15)21(22,23)24/h3-12H,1-2H3
InChIKeyWAXFLSYDMBXQIH-UHFFFAOYSA-N
XLogP7.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine (CID 23593256) is N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine is Cc1ccc2sc3ccc(N(C)c4ccc(C(F)(F)F)cc4)cc3c2c1.
What is the InChIKey of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is WAXFLSYDMBXQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NS/c1-13-3-9-19-17(11-13)18-12-16(8-10-20(18)26-19)25(2)15-6-4-14(5-7-15)21(22,23)24/h3-12H,1-2H3.
What are the key properties of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 371.43 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 23593256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).