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

C18H21NO4 — CID 11988330

IUPAC5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(N)c1
InChIInChI=1S/C18H21NO4/c1-20-14-8-7-13(15(19)11-14)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,19H2,1-4H3/b6-5-
InChIKeyXMMNPPLYAJJFPL-WAYWQWQTSA-N
MW315.37 g/mol
LogP3.47
Rot. Bonds6

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

5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 11988330) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID11988330
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(N)c1
InChIInChI=1S/C18H21NO4/c1-20-14-8-7-13(15(19)11-14)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,19H2,1-4H3/b6-5-
InChIKeyXMMNPPLYAJJFPL-WAYWQWQTSA-N
XLogP3.47
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 11988330) is 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(N)c1.
What is the InChIKey of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is XMMNPPLYAJJFPL-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H21NO4/c1-20-14-8-7-13(15(19)11-14)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,19H2,1-4H3/b6-5-.
What are the key properties of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 315.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 11988330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).