5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride

C18H22ClNO3 — CID 25050180

IUPAC5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
SMILESCCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-4-22-16-10-14(9-15(12-16)20-2)6-5-13-7-8-18(21-3)17(19)11-13;/h5-12H,4,19H2,1-3H3;1H/b6-5-;
InChIKeyKHLBFMGCPZKUEL-YSMBQZINSA-N
MW335.83 g/mol
LogP4.28
Rot. Bonds6

About 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride

5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride (PubChem CID 25050180) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride.

Molecular Properties

Compound Name5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
PubChem CID25050180
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
SMILESCCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-4-22-16-10-14(9-15(12-16)20-2)6-5-13-7-8-18(21-3)17(19)11-13;/h5-12H,4,19H2,1-3H3;1H/b6-5-;
InChIKeyKHLBFMGCPZKUEL-YSMBQZINSA-N
XLogP4.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.28
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'}

Analyze 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489
[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44564060
2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol
CID 166173179
[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
CID 44564099
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride?
The IUPAC name of 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride (CID 25050180) is 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride.
What is the SMILES notation for 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride?
The canonical SMILES for 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride is CCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.Cl.
What is the InChIKey of 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride?
The InChIKey is KHLBFMGCPZKUEL-YSMBQZINSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-4-22-16-10-14(9-15(12-16)20-2)6-5-13-7-8-18(21-3)17(19)11-13;/h5-12H,4,19H2,1-3H3;1H/b6-5-;.
What are the key properties of 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride?
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride is sourced from PubChem (CID 25050180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).