3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

C18H16BrFN2 — CID 24887355

IUPAC3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21
InChIInChI=1S/C18H16BrFN2/c1-21-17-8-15(14-7-11(20)3-5-12(14)17)16-9-22-18-6-10(19)2-4-13(16)18/h2-7,9,15,17,21-22H,8H2,1H3
InChIKeyHJBKOGRXIPVMTB-UHFFFAOYSA-N
MW359.24 g/mol
LogP4.87
Rot. Bonds2

About 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 24887355) has the molecular formula C18H16BrFN2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID24887355
Molecular FormulaC18H16BrFN2
Molecular Weight359.24 g/mol
Exact Mass358.05
IUPAC Name3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21
InChIInChI=1S/C18H16BrFN2/c1-21-17-8-15(14-7-11(20)3-5-12(14)17)16-9-22-18-6-10(19)2-4-13(16)18/h2-7,9,15,17,21-22H,8H2,1H3
InChIKeyHJBKOGRXIPVMTB-UHFFFAOYSA-N
XLogP4.87
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 24887355) is 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21.
What is the InChIKey of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HJBKOGRXIPVMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2/c1-21-17-8-15(14-7-11(20)3-5-12(14)17)16-9-22-18-6-10(19)2-4-13(16)18/h2-7,9,15,17,21-22H,8H2,1H3.
What are the key properties of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 359.24 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 24887355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).