N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine

C20H24N2 — CID 67670754

IUPACN-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
SMILESc1ccc(-c2ccc(CNC3CC4CCN3CC4)cc2)cc1
InChIInChI=1S/C20H24N2/c1-2-4-18(5-3-1)19-8-6-17(7-9-19)15-21-20-14-16-10-12-22(20)13-11-16/h1-9,16,20-21H,10-15H2
InChIKeyHGVHFRMVQKHUDM-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.88
Rot. Bonds4

About N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine

N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine (PubChem CID 67670754) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
PubChem CID67670754
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
SMILESc1ccc(-c2ccc(CNC3CC4CCN3CC4)cc2)cc1
InChIInChI=1S/C20H24N2/c1-2-4-18(5-3-1)19-8-6-17(7-9-19)15-21-20-14-16-10-12-22(20)13-11-16/h1-9,16,20-21H,10-15H2
InChIKeyHGVHFRMVQKHUDM-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine?
The IUPAC name of N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine (CID 67670754) is N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine is c1ccc(-c2ccc(CNC3CC4CCN3CC4)cc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine?
The InChIKey is HGVHFRMVQKHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-4-18(5-3-1)19-8-6-17(7-9-19)15-21-20-14-16-10-12-22(20)13-11-16/h1-9,16,20-21H,10-15H2.
What are the key properties of N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine?
N-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine has a molecular weight of 292.43 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-[(4-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 67670754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).