4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde

C13H17NO2 — CID 28603596

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
SMILESC[C@@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1
InChIInChI=1S/C13H17NO2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyOGVXOBJOPFDWIY-PHIMTYICSA-N
MW219.28 g/mol
LogP2.11
Rot. Bonds2

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde (PubChem CID 28603596) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
PubChem CID28603596
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
SMILESC[C@@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1
InChIInChI=1S/C13H17NO2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyOGVXOBJOPFDWIY-PHIMTYICSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)benzaldehyde
CID 79189106
4-(3,5-dimethylpiperidin-1-yl)benzaldehyde
CID 43200250
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
4-(3-propan-2-ylazetidin-1-yl)benzaldehyde
CID 106913645
4-(2,6-dimethylmorpholin-4-yl)sulfanylbenzaldehyde
CID 166782055
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-formylbenzonitrile
CID 114063310
4-(4-ethynylphenyl)-2,6-dimethylmorpholine
CID 22494643
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde (CID 28603596) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde is C[C@@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde?
The InChIKey is OGVXOBJOPFDWIY-PHIMTYICSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde has a molecular weight of 219.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde is sourced from PubChem (CID 28603596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).