(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane

C20H23N — CID 70215581

IUPAC(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC(c3ccccc3)[C@@]1(c1ccccc1)CC2
InChIInChI=1S/C20H23N/c1-21-18-12-13-19(16-8-4-2-5-9-16)20(21,15-14-18)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19?,20+/m1/s1
InChIKeyAECXVDIESAVLLF-ITIDOPETSA-N
MW277.41 g/mol
LogP4.55
Rot. Bonds2

About (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane

(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane (PubChem CID 70215581) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane
PubChem CID70215581
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC(c3ccccc3)[C@@]1(c1ccccc1)CC2
InChIInChI=1S/C20H23N/c1-21-18-12-13-19(16-8-4-2-5-9-16)20(21,15-14-18)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19?,20+/m1/s1
InChIKeyAECXVDIESAVLLF-ITIDOPETSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane (CID 70215581) is (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CCC(c3ccccc3)[C@@]1(c1ccccc1)CC2.
What is the InChIKey of (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is AECXVDIESAVLLF-ITIDOPETSA-N. The full InChI is InChI=1S/C20H23N/c1-21-18-12-13-19(16-8-4-2-5-9-16)20(21,15-14-18)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19?,20+/m1/s1.
What are the key properties of (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane?
(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 277.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 70215581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).