3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane

C14H18FN — CID 22287007

IUPAC3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C14H18FN/c15-12-3-1-10(2-4-12)7-11-8-13-5-6-14(9-11)16-13/h1-4,11,13-14,16H,5-9H2
InChIKeyNRSLGNLBTYMOTL-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.90
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane

3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 22287007) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID22287007
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C14H18FN/c15-12-3-1-10(2-4-12)7-11-8-13-5-6-14(9-11)16-13/h1-4,11,13-14,16H,5-9H2
InChIKeyNRSLGNLBTYMOTL-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane (CID 22287007) is 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane is Fc1ccc(CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is NRSLGNLBTYMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c15-12-3-1-10(2-4-12)7-11-8-13-5-6-14(9-11)16-13/h1-4,11,13-14,16H,5-9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 219.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22287007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).