N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H20F2N2 — CID 53302993

IUPACN-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1c(F)cccc1F)C2
InChIInChI=1S/C15H20F2N2/c1-19-11-4-2-5-12(19)9-10(8-11)18-15-13(16)6-3-7-14(15)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3
InChIKeyOFUVDFIEUNZEKO-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.39
Rot. Bonds2

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

N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 53302993) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID53302993
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC NameN-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1c(F)cccc1F)C2
InChIInChI=1S/C15H20F2N2/c1-19-11-4-2-5-12(19)9-10(8-11)18-15-13(16)6-3-7-14(15)17/h3,6-7,10-12,18H,2,4-5,8-9H2,1H3
InChIKeyOFUVDFIEUNZEKO-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 53302993) is N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(Nc1c(F)cccc1F)C2.
What is the InChIKey of N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is OFUVDFIEUNZEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-19-11-4-2-5-12(19)9-10(8-11)18-15-13(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 N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 266.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 53302993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).