8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane

C20H23N — CID 154275315

IUPAC8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESc1ccc(CN2C3CCC2CC(c2ccccc2)C3)cc1
InChIInChI=1S/C20H23N/c1-3-7-16(8-4-1)15-21-19-11-12-20(21)14-18(13-19)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2
InChIKeyZKRXZOYSRMSWOP-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.60
Rot. Bonds3

About 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane

8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane (PubChem CID 154275315) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
PubChem CID154275315
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESc1ccc(CN2C3CCC2CC(c2ccccc2)C3)cc1
InChIInChI=1S/C20H23N/c1-3-7-16(8-4-1)15-21-19-11-12-20(21)14-18(13-19)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2
InChIKeyZKRXZOYSRMSWOP-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 166183692
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
CID 167960422
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane (CID 154275315) is 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane is c1ccc(CN2C3CCC2CC(c2ccccc2)C3)cc1.
What is the InChIKey of 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is ZKRXZOYSRMSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-7-16(8-4-1)15-21-19-11-12-20(21)14-18(13-19)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2.
What are the key properties of 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane?
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 277.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 154275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).