(2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane

C20H23N — CID 18391094

IUPAC(2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2
InChIInChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
InChIKeyURXGPOFPBIBVGT-NBDWZHNGSA-N
MW277.41 g/mol
LogP4.42
Rot. Bonds2

About (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane

(2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane (PubChem CID 18391094) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane
PubChem CID18391094
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2
InChIInChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
InChIKeyURXGPOFPBIBVGT-NBDWZHNGSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane (CID 18391094) is (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2.
What is the InChIKey of (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is URXGPOFPBIBVGT-NBDWZHNGSA-N. The full InChI is InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1.
What are the key properties of (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
(2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 277.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 18391094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).