4-[[2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
Basic information
- CAS
443896-21-7- Standard SMILES
CC(C)(C)c1ccc(CCC2OCC(CN3CCOCC3)O2)cc1- InChIKey
PMSZKNSSEIHHKV-UHFFFAOYSA-N- Molecular formula
- C20H31NO3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.23039385
Names & identifiers
- Preferred name
- 4-[[2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
- IUPAC
- 4-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
Names & synonyms
443896-21-74-[[2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholineEnamine_0036254-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)morpholineMLS000767955CHEMBL1600498DTXSID901320858HMS1404E17HMS2777H24MFCD03286432STK007664AKOS001052003
Show more names
AKOS022077660IDI1_007268SMR000431277ZINC000019799096ZINC000019799101CC(c1ccc(cc1)CCC1OCC(O1)CN1CCOCC1)(C)CCC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)CN3CCOCC3Z56849444
Database identifiers
- CAS
443896-21-7- PubChem CID
- 3542201
- DTXSID
DTXSID901320858- ChEMBL
CHEMBL1600498
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility40 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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