N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H19F3N2 — CID 62812956

IUPACN-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H19F3N2/c1-19-9-5-10-3-2-4-11(6-9)20(10)12-7-13(16)15(18)14(17)8-12/h7-11,19H,2-6H2,1H3
InChIKeyFFPNTWRKRCXUHP-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.21
Rot. Bonds2

About N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62812956) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62812956
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H19F3N2/c1-19-9-5-10-3-2-4-11(6-9)20(10)12-7-13(16)15(18)14(17)8-12/h7-11,19H,2-6H2,1H3
InChIKeyFFPNTWRKRCXUHP-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-methyl-9-(3,4,5-trifluorophenyl)-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-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62812956) is N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FFPNTWRKRCXUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-19-9-5-10-3-2-4-11(6-9)20(10)12-7-13(16)15(18)14(17)8-12/h7-11,19H,2-6H2,1H3.
What are the key properties of N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 284.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62812956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).