4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane

C17H27NO — CID 142144914

IUPAC4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane
SMILESC/C=C(/c1ccc(C)cc1C)N1CCOCC1.CC
InChIInChI=1S/C15H21NO.C2H6/c1-4-15(16-7-9-17-10-8-16)14-6-5-12(2)11-13(14)3;1-2/h4-6,11H,7-10H2,1-3H3;1-2H3/b15-4-;
InChIKeyBIYPFPJSZBMBLO-PZAJBRPHSA-N
MW261.41 g/mol
LogP4.02
Rot. Bonds2

About 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane

4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane (PubChem CID 142144914) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane.

Molecular Properties

Compound Name4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane
PubChem CID142144914
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane
SMILESC/C=C(/c1ccc(C)cc1C)N1CCOCC1.CC
InChIInChI=1S/C15H21NO.C2H6/c1-4-15(16-7-9-17-10-8-16)14-6-5-12(2)11-13(14)3;1-2/h4-6,11H,7-10H2,1-3H3;1-2H3/b15-4-;
InChIKeyBIYPFPJSZBMBLO-PZAJBRPHSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane?
The IUPAC name of 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane (CID 142144914) is 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane.
What is the SMILES notation for 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane?
The canonical SMILES for 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane is C/C=C(/c1ccc(C)cc1C)N1CCOCC1.CC.
What is the InChIKey of 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane?
The InChIKey is BIYPFPJSZBMBLO-PZAJBRPHSA-N. The full InChI is InChI=1S/C15H21NO.C2H6/c1-4-15(16-7-9-17-10-8-16)14-6-5-12(2)11-13(14)3;1-2/h4-6,11H,7-10H2,1-3H3;1-2H3/b15-4-;.
What are the key properties of 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane?
4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane has a molecular weight of 261.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane is sourced from PubChem (CID 142144914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).