4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine

C23H29NO — CID 25101034

IUPAC4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine
SMILESCc1cccc(C)c1/C=C/c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H29NO/c1-19-6-3-7-20(2)23(19)12-11-22-9-4-8-21(18-22)10-5-13-24-14-16-25-17-15-24/h3-4,6-9,11-12,18H,5,10,13-17H2,1-2H3/b12-11+
InChIKeyIWPIWJMSAYHJPN-VAWYXSNFSA-N
MW335.49 g/mol
LogP4.74
Rot. Bonds6

About 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine

4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine (PubChem CID 25101034) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine
PubChem CID25101034
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine
SMILESCc1cccc(C)c1/C=C/c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H29NO/c1-19-6-3-7-20(2)23(19)12-11-22-9-4-8-21(18-22)10-5-13-24-14-16-25-17-15-24/h3-4,6-9,11-12,18H,5,10,13-17H2,1-2H3/b12-11+
InChIKeyIWPIWJMSAYHJPN-VAWYXSNFSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyproheptadine
CID 2913
Trifenmorph
CID 14993
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950702
PrNMI
CID 72950872
4-(2-Naphthylmethyl)morpholine
CID 783185
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10619854

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine (CID 25101034) is 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine is Cc1cccc(C)c1/C=C/c1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
The InChIKey is IWPIWJMSAYHJPN-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H29NO/c1-19-6-3-7-20(2)23(19)12-11-22-9-4-8-21(18-22)10-5-13-24-14-16-25-17-15-24/h3-4,6-9,11-12,18H,5,10,13-17H2,1-2H3/b12-11+.
What are the key properties of 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine has a molecular weight of 335.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine is sourced from PubChem (CID 25101034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).