N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline

C19H23NO3 — CID 54188943

IUPACN,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(C=Cc2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h6-13H,1-5H3
InChIKeyPHDDAWSHQWUPPP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.95
Rot. Bonds6

About N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline

N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 54188943) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID54188943
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(C=Cc2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h6-13H,1-5H3
InChIKeyPHDDAWSHQWUPPP-UHFFFAOYSA-N
XLogP3.95
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline 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-[(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
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
2-bromo-3-[4-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 72739034

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 54188943) is N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1cc(C=Cc2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is PHDDAWSHQWUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h6-13H,1-5H3.
What are the key properties of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 313.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 54188943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).