8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H17FN2 — CID 62739948

IUPAC8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c14-9-1-3-11(4-2-9)16-12-5-6-13(16)8-10(15)7-12/h1-4,10,12-13H,5-8,15H2
InChIKeyHWGUTVVCEAGZJP-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.28
Rot. Bonds1

About 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739948) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739948
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c14-9-1-3-11(4-2-9)16-12-5-6-13(16)8-10(15)7-12/h1-4,10,12-13H,5-8,15H2
InChIKeyHWGUTVVCEAGZJP-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739948) is 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2c1ccc(F)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HWGUTVVCEAGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-9-1-3-11(4-2-9)16-12-5-6-13(16)8-10(15)7-12/h1-4,10,12-13H,5-8,15H2.
What are the key properties of 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 220.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).