N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C19H22FN3 — CID 77302049

IUPACN-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1C(Nc2ccc(-c3ccccc3F)nc2)C2CCN1CC2
InChIInChI=1S/C19H22FN3/c1-13-19(14-8-10-23(13)11-9-14)22-15-6-7-18(21-12-15)16-4-2-3-5-17(16)20/h2-7,12-14,19,22H,8-11H2,1H3
InChIKeyWDJCHGZCKPLJDD-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.78
Rot. Bonds3

About N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 77302049) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID77302049
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC NameN-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1C(Nc2ccc(-c3ccccc3F)nc2)C2CCN1CC2
InChIInChI=1S/C19H22FN3/c1-13-19(14-8-10-23(13)11-9-14)22-15-6-7-18(21-12-15)16-4-2-3-5-17(16)20/h2-7,12-14,19,22H,8-11H2,1H3
InChIKeyWDJCHGZCKPLJDD-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 77302049) is N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is CC1C(Nc2ccc(-c3ccccc3F)nc2)C2CCN1CC2.
What is the InChIKey of N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WDJCHGZCKPLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-13-19(14-8-10-23(13)11-9-14)22-15-6-7-18(21-12-15)16-4-2-3-5-17(16)20/h2-7,12-14,19,22H,8-11H2,1H3.
What are the key properties of N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 311.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 77302049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).