N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline

C19H23NO3 — CID 122182327

IUPACN,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-13(14-7-9-16(10-8-14)20(2)3)15-11-17(21-4)19(23-6)18(12-15)22-5/h7-12H,1H2,2-6H3
InChIKeyYJPWCOSTJRVORJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.84
Rot. Bonds6

About N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline

N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 122182327) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID122182327
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESC=C(c1ccc(N(C)C)cc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-13(14-7-9-16(10-8-14)20(2)3)15-11-17(21-4)19(23-6)18(12-15)22-5/h7-12H,1H2,2-6H3
InChIKeyYJPWCOSTJRVORJ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 122182327) is N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline is C=C(c1ccc(N(C)C)cc1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is YJPWCOSTJRVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(14-7-9-16(10-8-14)20(2)3)15-11-17(21-4)19(23-6)18(12-15)22-5/h7-12H,1H2,2-6H3.
What are the key properties of N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
N,N-dimethyl-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 313.40 g/mol, XLogP of 3.84, 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-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 122182327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).