(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol

C23H29NO — CID 11992127

IUPAC(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol
SMILESCN(C)C12C[C@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@](C)(O)C2
InChIInChI=1S/C23H29NO/c1-22(25)16-23(24(2)3)14-19(17-10-6-4-7-11-17)21(22)20(15-23)18-12-8-5-9-13-18/h4-13,19-21,25H,14-16H2,1-3H3/t19-,20+,21?,22-,23?/m1/s1
InChIKeyHIOKFJYFABQEOD-JQSUATBKSA-N
MW335.49 g/mol
LogP4.42
Rot. Bonds3

About (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol

(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol (PubChem CID 11992127) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol
PubChem CID11992127
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol
SMILESCN(C)C12C[C@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@](C)(O)C2
InChIInChI=1S/C23H29NO/c1-22(25)16-23(24(2)3)14-19(17-10-6-4-7-11-17)21(22)20(15-23)18-12-8-5-9-13-18/h4-13,19-21,25H,14-16H2,1-3H3/t19-,20+,21?,22-,23?/m1/s1
InChIKeyHIOKFJYFABQEOD-JQSUATBKSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol with MolForge

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Related Compounds

(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol
CID 11279529
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
CID 106663667
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone
CID 127051457
(1S,3S,5S,6S)-6-hydroxy-3-methyl-5-phenyltricyclo[4.3.0.01,3]non-7-en-9-one
CID 11776436
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
(2-methylcyclopentyl)benzene
CID 12600454
3-hydroxy-1-methyl-4-phenylcyclohexane-1-carbaldehyde
CID 174740650
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493
[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
CID 155932132
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol (CID 11992127) is (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol is CN(C)C12C[C@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@](C)(O)C2.
What is the InChIKey of (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
The InChIKey is HIOKFJYFABQEOD-JQSUATBKSA-N. The full InChI is InChI=1S/C23H29NO/c1-22(25)16-23(24(2)3)14-19(17-10-6-4-7-11-17)21(22)20(15-23)18-12-8-5-9-13-18/h4-13,19-21,25H,14-16H2,1-3H3/t19-,20+,21?,22-,23?/m1/s1.
What are the key properties of (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol has a molecular weight of 335.49 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 11992127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).