2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine

C21H27NO3 — CID 927476

IUPAC2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)cc2CCN(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-22(2)13-12-18-15-21(25-5)20(24-4)14-17(18)9-6-16-7-10-19(23-3)11-8-16/h6-11,14-15H,12-13H2,1-5H3
InChIKeyCDEUAIWZABREND-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.99
Rot. Bonds8

About 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine

2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine (PubChem CID 927476) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine
PubChem CID927476
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)cc2CCN(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-22(2)13-12-18-15-21(25-5)20(24-4)14-17(18)9-6-16-7-10-19(23-3)11-8-16/h6-11,14-15H,12-13H2,1-5H3
InChIKeyCDEUAIWZABREND-UHFFFAOYSA-N
XLogP3.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
CID 141409566
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 101211712
(E)-1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)ethyl]phenyl]prop-2-en-1-one
CID 10020096
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-[(Z)-2-phenylethenyl]phenyl]-N-methylbutan-2-amine
CID 67935695
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-[(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
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 162878387
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
3-(6-methoxyquinolin-2-yl)-N,N-dimethylpropan-1-amine
CID 23204412

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine (CID 927476) is 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine is COc1ccc(C=Cc2cc(OC)c(OC)cc2CCN(C)C)cc1.
What is the InChIKey of 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine?
The InChIKey is CDEUAIWZABREND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-22(2)13-12-18-15-21(25-5)20(24-4)14-17(18)9-6-16-7-10-19(23-3)11-8-16/h6-11,14-15H,12-13H2,1-5H3.
What are the key properties of 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine?
2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine has a molecular weight of 341.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 927476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).