N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine

C20H16FNS — CID 23597847

IUPACN-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine
SMILESCc1ccc2sc3ccc(N(C)c4cccc(F)c4)cc3c2c1
InChIInChI=1S/C20H16FNS/c1-13-6-8-19-17(10-13)18-12-16(7-9-20(18)23-19)22(2)15-5-3-4-14(21)11-15/h3-12H,1-2H3
InChIKeyBOCSVDPTZOWVDL-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.27
Rot. Bonds2

About N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine

N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine (PubChem CID 23597847) has the molecular formula C20H16FNS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine
PubChem CID23597847
Molecular FormulaC20H16FNS
Molecular Weight321.42 g/mol
Exact Mass321.10
IUPAC NameN-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine
SMILESCc1ccc2sc3ccc(N(C)c4cccc(F)c4)cc3c2c1
InChIInChI=1S/C20H16FNS/c1-13-6-8-19-17(10-13)18-12-16(7-9-20(18)23-19)22(2)15-5-3-4-14(21)11-15/h3-12H,1-2H3
InChIKeyBOCSVDPTZOWVDL-UHFFFAOYSA-N
XLogP6.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine (CID 23597847) is N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine is Cc1ccc2sc3ccc(N(C)c4cccc(F)c4)cc3c2c1.
What is the InChIKey of N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine?
The InChIKey is BOCSVDPTZOWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNS/c1-13-6-8-19-17(10-13)18-12-16(7-9-20(18)23-19)22(2)15-5-3-4-14(21)11-15/h3-12H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine?
N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine has a molecular weight of 321.42 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine is sourced from PubChem (CID 23597847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).