(2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde

C14H19NO3 — CID 118541643

IUPAC(2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde
SMILESCO[C@](C=O)(c1ccccc1)N1CCOC[C@@H]1C
InChIInChI=1S/C14H19NO3/c1-12-10-18-9-8-15(12)14(11-16,17-2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t12-,14+/m0/s1
InChIKeyQXFHEBFHZFIYIA-GXTWGEPZSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde

(2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde (PubChem CID 118541643) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde
PubChem CID118541643
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde
SMILESCO[C@](C=O)(c1ccccc1)N1CCOC[C@@H]1C
InChIInChI=1S/C14H19NO3/c1-12-10-18-9-8-15(12)14(11-16,17-2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t12-,14+/m0/s1
InChIKeyQXFHEBFHZFIYIA-GXTWGEPZSA-N
XLogP1.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
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 (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde?
The IUPAC name of (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde (CID 118541643) is (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde.
What is the SMILES notation for (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde?
The canonical SMILES for (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde is CO[C@](C=O)(c1ccccc1)N1CCOC[C@@H]1C.
What is the InChIKey of (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde?
The InChIKey is QXFHEBFHZFIYIA-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-12-10-18-9-8-15(12)14(11-16,17-2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde?
(2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde has a molecular weight of 249.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-[(3S)-3-methylmorpholin-4-yl]-2-phenylacetaldehyde is sourced from PubChem (CID 118541643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).