(2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

C20H33NO2 — CID 15136728

IUPAC(2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCOC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C20H33NO2/c1-15(12-21-13-16(2)23-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)22-6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
InChIKeyXIKQAVVHBFSDDE-ALOPSCKCSA-N
MW319.49 g/mol
LogP3.86
Rot. Bonds6

About (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

(2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 15136728) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID15136728
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCOC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C20H33NO2/c1-15(12-21-13-16(2)23-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)22-6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
InChIKeyXIKQAVVHBFSDDE-ALOPSCKCSA-N
XLogP3.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (CID 15136728) is (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine is COC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is XIKQAVVHBFSDDE-ALOPSCKCSA-N. The full InChI is InChI=1S/C20H33NO2/c1-15(12-21-13-16(2)23-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)22-6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+.
What are the key properties of (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 319.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[3-[4-(2-methoxypropan-2-yl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 15136728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).