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

C22H18F3NS — CID 23593254

IUPACN,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
SMILESCc1ccc2sc3ccc(N(C)c4ccc(C(F)(F)F)cc4C)cc3c2c1
InChIInChI=1S/C22H18F3NS/c1-13-4-8-20-17(10-13)18-12-16(6-9-21(18)27-20)26(3)19-7-5-15(11-14(19)2)22(23,24)25/h4-12H,1-3H3
InChIKeyFAQUZMOWIHJRGJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP7.46
Rot. Bonds2

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

N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine (PubChem CID 23593254) has the molecular formula C22H18F3NS and a molecular weight of 385.45 g/mol. Its IUPAC name is N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
PubChem CID23593254
Molecular FormulaC22H18F3NS
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
SMILESCc1ccc2sc3ccc(N(C)c4ccc(C(F)(F)F)cc4C)cc3c2c1
InChIInChI=1S/C22H18F3NS/c1-13-4-8-20-17(10-13)18-12-16(6-9-21(18)27-20)26(3)19-7-5-15(11-14(19)2)22(23,24)25/h4-12H,1-3H3
InChIKeyFAQUZMOWIHJRGJ-UHFFFAOYSA-N
XLogP7.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 57.46
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-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine (CID 23593254) is N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine is Cc1ccc2sc3ccc(N(C)c4ccc(C(F)(F)F)cc4C)cc3c2c1.
What is the InChIKey of N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is FAQUZMOWIHJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NS/c1-13-4-8-20-17(10-13)18-12-16(6-9-21(18)27-20)26(3)19-7-5-15(11-14(19)2)22(23,24)25/h4-12H,1-3H3.
What are the key properties of N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine?
N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 385.45 g/mol, XLogP of 7.46, 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-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 23593254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).