(2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde

C15H21NO3 — CID 118541594

IUPAC(2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde
SMILESCO[C@@](C=O)(c1ccccc1)N1CCO[C@H](C)[C@@H]1C
InChIInChI=1S/C15H21NO3/c1-12-13(2)19-10-9-16(12)15(11-17,18-3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyTVHLKSWXWBPERQ-GUTXKFCHSA-N
MW263.34 g/mol
LogP1.79
Rot. Bonds4

About (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde

(2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde (PubChem CID 118541594) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde
PubChem CID118541594
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde
SMILESCO[C@@](C=O)(c1ccccc1)N1CCO[C@H](C)[C@@H]1C
InChIInChI=1S/C15H21NO3/c1-12-13(2)19-10-9-16(12)15(11-17,18-3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyTVHLKSWXWBPERQ-GUTXKFCHSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde?
The IUPAC name of (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde (CID 118541594) is (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde.
What is the SMILES notation for (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde?
The canonical SMILES for (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde is CO[C@@](C=O)(c1ccccc1)N1CCO[C@H](C)[C@@H]1C.
What is the InChIKey of (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde?
The InChIKey is TVHLKSWXWBPERQ-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-13(2)19-10-9-16(12)15(11-17,18-3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/t12-,13+,15-/m0/s1.
What are the key properties of (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde?
(2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylacetaldehyde is sourced from PubChem (CID 118541594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).