(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol

C24H31NO — CID 11279529

IUPAC(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol
SMILESCCN(CC)C12C[C@@H](O)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
InChIInChI=1S/C24H31NO/c1-3-25(4-2)24-15-20(18-11-7-5-8-12-18)23(22(26)17-24)21(16-24)19-13-9-6-10-14-19/h5-14,20-23,26H,3-4,15-17H2,1-2H3/t20-,21-,22+,23?,24?/m0/s1
InChIKeyCRFPEYIUQXMPAR-WZLDUSJXSA-N
MW349.52 g/mol
LogP4.81
Rot. Bonds5

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

(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol (PubChem CID 11279529) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol
PubChem CID11279529
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol
SMILESCCN(CC)C12C[C@@H](O)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
InChIInChI=1S/C24H31NO/c1-3-25(4-2)24-15-20(18-11-7-5-8-12-18)23(22(26)17-24)21(16-24)19-13-9-6-10-14-19/h5-14,20-23,26H,3-4,15-17H2,1-2H3/t20-,21-,22+,23?,24?/m0/s1
InChIKeyCRFPEYIUQXMPAR-WZLDUSJXSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
CID 16726334
(2R,3R,6R,7R)-3-benzyl-4-(dimethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol
CID 42612178
(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol
CID 11992127
2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid
CID 105403589
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(2-ethylsulfanylcyclopropyl)benzene
CID 123588085
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol (CID 11279529) is (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol is CCN(CC)C12C[C@@H](O)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2.
What is the InChIKey of (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
The InChIKey is CRFPEYIUQXMPAR-WZLDUSJXSA-N. The full InChI is InChI=1S/C24H31NO/c1-3-25(4-2)24-15-20(18-11-7-5-8-12-18)23(22(26)17-24)21(16-24)19-13-9-6-10-14-19/h5-14,20-23,26H,3-4,15-17H2,1-2H3/t20-,21-,22+,23?,24?/m0/s1.
What are the key properties of (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol?
(2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol has a molecular weight of 349.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R)-4-(diethylamino)-6,7-diphenylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 11279529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).