4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline

C18H21NO — CID 67837040

IUPAC4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCCOc1ccc(C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-4-20-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)19(2)3/h5-14H,4H2,1-3H3
InChIKeyCOIUNKXHJYQLNL-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.32
Rot. Bonds5

About 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline

4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 67837040) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
PubChem CID67837040
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCCOc1ccc(C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-4-20-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)19(2)3/h5-14H,4H2,1-3H3
InChIKeyCOIUNKXHJYQLNL-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-ethoxy-N,N-dimethylaniline
CID 3624890
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880876
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 4088723
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline (CID 67837040) is 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline is CCOc1ccc(C=Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is COIUNKXHJYQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-20-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)19(2)3/h5-14H,4H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline?
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 267.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 67837040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).