(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol

C18H27NO2 — CID 110157710

IUPAC(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
SMILESCN[C@@H]1CCC2(C)C[C@H](c3ccccc3)CC(C)(O2)[C@H]1O
InChIInChI=1S/C18H27NO2/c1-17-10-9-15(19-3)16(20)18(2,21-17)12-14(11-17)13-7-5-4-6-8-13/h4-8,14-16,19-20H,9-12H2,1-3H3/t14-,15+,16-,17?,18?/m0/s1
InChIKeyRVQXLUYEGGLSDZ-GSXDDRDBSA-N
MW289.42 g/mol
LogP2.84
Rot. Bonds2

About (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol

(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol (PubChem CID 110157710) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol.

Molecular Properties

Compound Name(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
PubChem CID110157710
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
SMILESCN[C@@H]1CCC2(C)C[C@H](c3ccccc3)CC(C)(O2)[C@H]1O
InChIInChI=1S/C18H27NO2/c1-17-10-9-15(19-3)16(20)18(2,21-17)12-14(11-17)13-7-5-4-6-8-13/h4-8,14-16,19-20H,9-12H2,1-3H3/t14-,15+,16-,17?,18?/m0/s1
InChIKeyRVQXLUYEGGLSDZ-GSXDDRDBSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol with MolForge

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Related Compounds

N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide
CID 110153374
2-ethoxy-N-[(1S,2S,3R,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methylacetamide
CID 110153267
(1S,2R,3S,6S,8S)-3-[1H-imidazol-5-ylmethyl(methyl)amino]-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
CID 110153265
N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide
CID 110153384
N-[(1S,2R,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-1,3-oxazole-5-carboxamide
CID 155901535
3-fluoro-N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(hydroxymethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]benzamide
CID 110153398
N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(hydroxymethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-4-methoxybenzenesulfonamide
CID 110153411
N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 124988963
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide
CID 110153476
(3aR,8S,9aS,9bR)-3a,6,6,9a-tetramethyl-8-phenyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 166130483
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871

Frequently Asked Questions

What is the IUPAC name of (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol?
The IUPAC name of (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol (CID 110157710) is (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol.
What is the SMILES notation for (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol?
The canonical SMILES for (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol is CN[C@@H]1CCC2(C)C[C@H](c3ccccc3)CC(C)(O2)[C@H]1O.
What is the InChIKey of (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol?
The InChIKey is RVQXLUYEGGLSDZ-GSXDDRDBSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17-10-9-15(19-3)16(20)18(2,21-17)12-14(11-17)13-7-5-4-6-8-13/h4-8,14-16,19-20H,9-12H2,1-3H3/t14-,15+,16-,17?,18?/m0/s1.
What are the key properties of (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol?
(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol is sourced from PubChem (CID 110157710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).