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'}

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Related Compounds

9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55119473
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642
8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107370685
8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62813641
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
N-methyl-9-(3-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714507
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712206
9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107603600
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603

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).