(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane

C22H25N — CID 101231102

IUPAC(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
SMILESCN1[C@H]2CC[C@@H]1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccccc1)C2
InChIInChI=1S/C22H25N/c1-23-19-13-15-22(23)20(14-12-17-8-4-2-5-9-17)21(16-19)18-10-6-3-7-11-18/h2-12,14,19-22H,13,15-16H2,1H3/b14-12+/t19-,20-,21+,22+/m0/s1
InChIKeyCXXJXQNFPSOGGF-WNLRVQEQSA-N
MW303.45 g/mol
LogP4.97
Rot. Bonds3

About (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane

(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane (PubChem CID 101231102) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
PubChem CID101231102
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
SMILESCN1[C@H]2CC[C@@H]1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccccc1)C2
InChIInChI=1S/C22H25N/c1-23-19-13-15-22(23)20(14-12-17-8-4-2-5-9-17)21(16-19)18-10-6-3-7-11-18/h2-12,14,19-22H,13,15-16H2,1H3/b14-12+/t19-,20-,21+,22+/m0/s1
InChIKeyCXXJXQNFPSOGGF-WNLRVQEQSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 124932656
(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 10040194
2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane
CID 59979094
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carbaldehyde
CID 10015643
(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
CID 10397607
methyl (1R,2S,3S,5S)-3-[4-[(E)-2-iodoethenyl]phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10894873
methane;methyl (3S,5R)-8-methyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 160829382
(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine
CID 67894847
2,3-dihydroxybutanedioic acid;methyl (1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 21124918
(E)-1-[(1R,2R,3S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-phenylmethoxymethanimine
CID 10150822

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane (CID 101231102) is (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane is CN1[C@H]2CC[C@@H]1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccccc1)C2.
What is the InChIKey of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is CXXJXQNFPSOGGF-WNLRVQEQSA-N. The full InChI is InChI=1S/C22H25N/c1-23-19-13-15-22(23)20(14-12-17-8-4-2-5-9-17)21(16-19)18-10-6-3-7-11-18/h2-12,14,19-22H,13,15-16H2,1H3/b14-12+/t19-,20-,21+,22+/m0/s1.
What are the key properties of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane?
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 303.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 101231102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).