2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

C18H20FN3 — CID 11702114

IUPAC2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1
InChIInChI=1S/C18H20FN3/c1-22(2)8-5-13-9-14-10-15(19)3-4-17(14)18(13)11-16-12-20-6-7-21-16/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3
InChIKeyUHPLDFSEISHDBD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.12
Rot. Bonds5

About 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 11702114) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID11702114
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1
InChIInChI=1S/C18H20FN3/c1-22(2)8-5-13-9-14-10-15(19)3-4-17(14)18(13)11-16-12-20-6-7-21-16/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3
InChIKeyUHPLDFSEISHDBD-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (CID 11702114) is 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1.
What is the InChIKey of 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is UHPLDFSEISHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-22(2)8-5-13-9-14-10-15(19)3-4-17(14)18(13)11-16-12-20-6-7-21-16/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3.
What are the key properties of 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 297.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11702114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).