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

C20H23N — CID 18391096

IUPAC(2S,3R)-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+/m0/s1
InChIKeyURXGPOFPBIBVGT-ZUPWUQBJSA-N
MW277.41 g/mol
LogP4.42
Rot. Bonds2

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

(2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane (PubChem CID 18391096) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane
PubChem CID18391096
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(2S,3R)-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+/m0/s1
InChIKeyURXGPOFPBIBVGT-ZUPWUQBJSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyproheptadine
CID 2913
Cyproheptadine Hydrochloride
CID 13770
Setiptiline
CID 5205
Budipine
CID 68778
Butriptyline
CID 21772
Fenpiprane
CID 197785
Prifinium Bromide
CID 20749
Prolintane
CID 14592
Diphemanil
CID 6127
Diisopromine
CID 22262
Trimethyldiphenylpropylamine
CID 30966
Emepronium
CID 34055

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane (CID 18391096) is (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (2S,3R)-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 (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is URXGPOFPBIBVGT-ZUPWUQBJSA-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+/m0/s1.
What are the key properties of (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane?
(2S,3R)-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 (2S,3R)-8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 18391096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).