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

C23H29NO — CID 10871388

IUPAC(1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(CCOC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3/t18?,21-,22+
InChIKeyUJEVDHRYUSUDHU-CZAFVFSZSA-N
MW335.49 g/mol
LogP5.06
Rot. Bonds6

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

(1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10871388) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10871388
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(CCOC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3/t18?,21-,22+
InChIKeyUJEVDHRYUSUDHU-CZAFVFSZSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-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

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 10871388) is (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(CCOC(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is UJEVDHRYUSUDHU-CZAFVFSZSA-N. The full InChI is InChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3/t18?,21-,22+.
What are the key properties of (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 335.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2-benzhydryloxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10871388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).