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

C17H19NO3 — CID 15696376

IUPAC4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C/c2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,18H2,1-3H3/b5-4+
InChIKeyMWXBWYJFAGYFKS-SNAWJCMRSA-N
MW285.34 g/mol
LogP3.46
Rot. Bonds5

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

4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 15696376) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID15696376
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1cc(/C=C/c2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,18H2,1-3H3/b5-4+
InChIKeyMWXBWYJFAGYFKS-SNAWJCMRSA-N
XLogP3.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 15696376) is 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1cc(/C=C/c2ccc(N)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is MWXBWYJFAGYFKS-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,18H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 285.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 15696376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).