N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H24F2N2 — CID 116789143

IUPACN-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCC(F)(F)c1ccccc1)C2
InChIInChI=1S/C17H24F2N2/c1-21-15-8-5-9-16(21)11-14(10-15)20-12-17(18,19)13-6-3-2-4-7-13/h2-4,6-7,14-16,20H,5,8-12H2,1H3
InChIKeyWXVOWAZCEVIOMW-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.38
Rot. Bonds4

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

N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 116789143) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID116789143
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCC(F)(F)c1ccccc1)C2
InChIInChI=1S/C17H24F2N2/c1-21-15-8-5-9-16(21)11-14(10-15)20-12-17(18,19)13-6-3-2-4-7-13/h2-4,6-7,14-16,20H,5,8-12H2,1H3
InChIKeyWXVOWAZCEVIOMW-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 115328351
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472387
2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid
CID 113436549
1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 65471059
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothian-4-amine
CID 116788857
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothiolan-3-amine
CID 116788690
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
CID 114178654
N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302872
methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
CID 104644641
N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 116789179

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 116789143) is N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NCC(F)(F)c1ccccc1)C2.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WXVOWAZCEVIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-21-15-8-5-9-16(21)11-14(10-15)20-12-17(18,19)13-6-3-2-4-7-13/h2-4,6-7,14-16,20H,5,8-12H2,1H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 294.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 116789143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).