ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C19H25NO — CID 159851450

IUPACethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCCN.CCc1ccc(/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18O.C2H7N/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16;1-2-3/h4-13H,3H2,1-2H3;2-3H2,1H3/b9-8+;
InChIKeyNPZJVJHXFBZKFP-HRNDJLQDSA-N
MW283.42 g/mol
LogP4.39
Rot. Bonds4

About ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 159851450) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Nameethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID159851450
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Nameethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCCN.CCc1ccc(/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18O.C2H7N/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16;1-2-3/h4-13H,3H2,1-2H3;2-3H2,1H3/b9-8+;
InChIKeyNPZJVJHXFBZKFP-HRNDJLQDSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
1-[2-(4-ethylphenyl)ethenyl]-2,3-diiodo-4-methoxybenzene
CID 134546040
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(4-ethylphenyl)-bis(4-methoxyphenyl)-methylphosphanium
CID 123234194

Frequently Asked Questions

What is the IUPAC name of ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 159851450) is ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is CCN.CCc1ccc(/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is NPZJVJHXFBZKFP-HRNDJLQDSA-N. The full InChI is InChI=1S/C17H18O.C2H7N/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16;1-2-3/h4-13H,3H2,1-2H3;2-3H2,1H3/b9-8+;.
What are the key properties of ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 283.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 159851450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).