3-methyl-2-phenylmorpholine-4-carbaldehyde

C12H15NO2 — CID 71322065

IUPAC3-methyl-2-phenylmorpholine-4-carbaldehyde
SMILESCC1C(c2ccccc2)OCCN1C=O
InChIInChI=1S/C12H15NO2/c1-10-12(11-5-3-2-4-6-11)15-8-7-13(10)9-14/h2-6,9-10,12H,7-8H2,1H3
InChIKeyAEUSGHITLBCODG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.60
Rot. Bonds2

About 3-methyl-2-phenylmorpholine-4-carbaldehyde

3-methyl-2-phenylmorpholine-4-carbaldehyde (PubChem CID 71322065) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methyl-2-phenylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-phenylmorpholine-4-carbaldehyde
PubChem CID71322065
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-methyl-2-phenylmorpholine-4-carbaldehyde
SMILESCC1C(c2ccccc2)OCCN1C=O
InChIInChI=1S/C12H15NO2/c1-10-12(11-5-3-2-4-6-11)15-8-7-13(10)9-14/h2-6,9-10,12H,7-8H2,1H3
InChIKeyAEUSGHITLBCODG-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylmorpholine-4-carbaldehyde?
The IUPAC name of 3-methyl-2-phenylmorpholine-4-carbaldehyde (CID 71322065) is 3-methyl-2-phenylmorpholine-4-carbaldehyde.
What is the SMILES notation for 3-methyl-2-phenylmorpholine-4-carbaldehyde?
The canonical SMILES for 3-methyl-2-phenylmorpholine-4-carbaldehyde is CC1C(c2ccccc2)OCCN1C=O.
What is the InChIKey of 3-methyl-2-phenylmorpholine-4-carbaldehyde?
The InChIKey is AEUSGHITLBCODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-12(11-5-3-2-4-6-11)15-8-7-13(10)9-14/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 3-methyl-2-phenylmorpholine-4-carbaldehyde?
3-methyl-2-phenylmorpholine-4-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylmorpholine-4-carbaldehyde is sourced from PubChem (CID 71322065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).