9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H18F2N2 — CID 62714139

IUPAC9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2/c15-9-4-10(16)6-14(5-9)18-12-2-1-3-13(18)8-11(17)7-12/h4-6,11-13H,1-3,7-8,17H2
InChIKeyLWSLEZCXTHWFJY-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.81
Rot. Bonds1

About 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714139) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714139
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2N2/c15-9-4-10(16)6-14(5-9)18-12-2-1-3-13(18)8-11(17)7-12/h4-6,11-13H,1-3,7-8,17H2
InChIKeyLWSLEZCXTHWFJY-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714139) is 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2c1cc(F)cc(F)c1.
What is the InChIKey of 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is LWSLEZCXTHWFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-9-4-10(16)6-14(5-9)18-12-2-1-3-13(18)8-11(17)7-12/h4-6,11-13H,1-3,7-8,17H2.
What are the key properties of 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 252.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).