9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H20BrFN2 — CID 107603600

IUPAC9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1c(F)cccc1Br
InChIInChI=1S/C15H20BrFN2/c1-18-10-8-11-4-2-5-12(9-10)19(11)15-13(16)6-3-7-14(15)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3
InChIKeyWARBRRUVNQGKEU-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.70
Rot. Bonds2

About 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 107603600) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID107603600
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1c(F)cccc1Br
InChIInChI=1S/C15H20BrFN2/c1-18-10-8-11-4-2-5-12(9-10)19(11)15-13(16)6-3-7-14(15)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3
InChIKeyWARBRRUVNQGKEU-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 107603600) is 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1c(F)cccc1Br.
What is the InChIKey of 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WARBRRUVNQGKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c1-18-10-8-11-4-2-5-12(9-10)19(11)15-13(16)6-3-7-14(15)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3.
What are the key properties of 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 327.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 107603600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).