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

C18H22ClNO4 — CID 127039221

IUPAC5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(N)c1.Cl
InChIInChI=1S/C18H21NO4.ClH/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;1H/b6-5-;
InChIKeyUNUAFUGBAMTTIM-YSMBQZINSA-N
MW351.83 g/mol
LogP3.90
Rot. Bonds6

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

5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride (PubChem CID 127039221) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride.

Molecular Properties

Compound Name5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride
PubChem CID127039221
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(N)c1.Cl
InChIInChI=1S/C18H21NO4.ClH/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;1H/b6-5-;
InChIKeyUNUAFUGBAMTTIM-YSMBQZINSA-N
XLogP3.90
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.90
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'}

Analyze 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride?
The IUPAC name of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride (CID 127039221) is 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride.
What is the SMILES notation for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride?
The canonical SMILES for 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(N)c1.Cl.
What is the InChIKey of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride?
The InChIKey is UNUAFUGBAMTTIM-YSMBQZINSA-N. The full InChI is InChI=1S/C18H21NO4.ClH/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;1H/b6-5-;.
What are the key properties of 5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride?
5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 3.90, 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;hydrochloride is sourced from PubChem (CID 127039221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).