(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane

C22H27NO2 — CID 71452745

IUPAC(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCO[C@@H]1CC2C[C@H](OC(c3ccccc3)c3ccccc3)CC1N2C
InChIInChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21+/m0/s1
InChIKeyODOVOZRQRRUTGF-KWJLTHHISA-N
MW337.46 g/mol
LogP4.04
Rot. Bonds5

About (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane

(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 71452745) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID71452745
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCO[C@@H]1CC2C[C@H](OC(c3ccccc3)c3ccccc3)CC1N2C
InChIInChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21+/m0/s1
InChIKeyODOVOZRQRRUTGF-KWJLTHHISA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,6R)-3-benzhydryloxy-6-methoxy-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

Related Compounds

(3R,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45263257
(3S,6S)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45265685
(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 71456255
(1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 8584
(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10449632
4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]benzonitrile
CID 10336882
methyl (1R,2R,3R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 67768471
methyl (3S,6S)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylate
CID 71454467
4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
CID 154211162
(6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
CID 68933128
2-phenylethyl (3S,6S)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylate
CID 71450878
(1S,5R)-3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 118984390

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane (CID 71452745) is (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane is CO[C@@H]1CC2C[C@H](OC(c3ccccc3)c3ccccc3)CC1N2C.
What is the InChIKey of (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is ODOVOZRQRRUTGF-KWJLTHHISA-N. The full InChI is InChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21+/m0/s1.
What are the key properties of (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 337.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71452745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).