N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H27FN2 — CID 114871649

IUPACN-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(NC1CC2CCCC(C1)N2C)c1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-3-18(13-6-4-7-14(19)10-13)20-15-11-16-8-5-9-17(12-15)21(16)2/h4,6-7,10,15-18,20H,3,5,8-9,11-12H2,1-2H3
InChIKeyFPFSCUJUAXIAIS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 114871649) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID114871649
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(NC1CC2CCCC(C1)N2C)c1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-3-18(13-6-4-7-14(19)10-13)20-15-11-16-8-5-9-17(12-15)21(16)2/h4,6-7,10,15-18,20H,3,5,8-9,11-12H2,1-2H3
InChIKeyFPFSCUJUAXIAIS-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115938758
N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine
CID 114871597
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531
3-(3-fluorophenyl)-N-(1-phenylpropyl)cyclobutan-1-amine
CID 62304356
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
CID 114871515
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
[2-[1-(3-fluorophenyl)propylamino]cyclohexyl]methanol
CID 102612788
N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297572
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 114871649) is N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCC(NC1CC2CCCC(C1)N2C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FPFSCUJUAXIAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-3-18(13-6-4-7-14(19)10-13)20-15-11-16-8-5-9-17(12-15)21(16)2/h4,6-7,10,15-18,20H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 114871649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).