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

C14H17F3N2 — CID 55119473

IUPAC9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2/c15-12-6-11(7-13(16)14(12)17)19-9-2-1-3-10(19)5-8(18)4-9/h6-10H,1-5,18H2
InChIKeyFDPNIDJBVHYTHW-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.95
Rot. Bonds1

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

9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55119473) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55119473
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2/c15-12-6-11(7-13(16)14(12)17)19-9-2-1-3-10(19)5-8(18)4-9/h6-10H,1-5,18H2
InChIKeyFDPNIDJBVHYTHW-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.95
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-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714139
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713246
8-(4-chloro-3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740562
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63180563
9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713967
3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
CID 62712714
9-(2-fluoro-4-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712608
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106618
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541

Frequently Asked Questions

What is the IUPAC name of 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 55119473) is 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2c1cc(F)c(F)c(F)c1.
What is the InChIKey of 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FDPNIDJBVHYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-12-6-11(7-13(16)14(12)17)19-9-2-1-3-10(19)5-8(18)4-9/h6-10H,1-5,18H2.
What are the key properties of 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 270.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55119473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).