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

C19H23NO3 — CID 15696371

IUPACN,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C/c2ccc(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/b7-6+
InChIKeyPHDDAWSHQWUPPP-VOTSOKGWSA-N
MW313.40 g/mol
LogP3.95
Rot. Bonds6

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

N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 15696371) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID15696371
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C/c2ccc(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/b7-6+
InChIKeyPHDDAWSHQWUPPP-VOTSOKGWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 15696371) is N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1cc(/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is PHDDAWSHQWUPPP-VOTSOKGWSA-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/b7-6+.
What are the key properties of N,N-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
N,N-dimethyl-4-[(E)-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-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 15696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).