4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline

C18H21NO2 — CID 85073346

IUPAC4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCOc1cc(C=Cc2ccc(N(C)C)cc2)cc(OC)c1
InChIInChI=1S/C18H21NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h5-13H,1-4H3
InChIKeyZUZKIIFEMDKRLO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.94
Rot. Bonds5

About 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline

4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 85073346) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
PubChem CID85073346
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCOc1cc(C=Cc2ccc(N(C)C)cc2)cc(OC)c1
InChIInChI=1S/C18H21NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h5-13H,1-4H3
InChIKeyZUZKIIFEMDKRLO-UHFFFAOYSA-N
XLogP3.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 101371882
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
CID 77387181
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
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-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
4-[2-(6-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 74830862
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline (CID 85073346) is 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline is COc1cc(C=Cc2ccc(N(C)C)cc2)cc(OC)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is ZUZKIIFEMDKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h5-13H,1-4H3.
What are the key properties of 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline?
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 283.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 85073346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).