5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline

C17H20N2O3 — CID 11558484

IUPAC5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline
SMILESCOc1ccc(/C=C\c2cc(N)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C17H20N2O3/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h4-10H,18-19H2,1-3H3/b5-4-
InChIKeyYMHQUKNCFCHOSK-PLNGDYQASA-N
MW300.36 g/mol
LogP3.05
Rot. Bonds5

About 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline

5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline (PubChem CID 11558484) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline.

Molecular Properties

Compound Name5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline
PubChem CID11558484
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline
SMILESCOc1ccc(/C=C\c2cc(N)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C17H20N2O3/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h4-10H,18-19H2,1-3H3/b5-4-
InChIKeyYMHQUKNCFCHOSK-PLNGDYQASA-N
XLogP3.05
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline?
The IUPAC name of 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline (CID 11558484) is 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline.
What is the SMILES notation for 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline?
The canonical SMILES for 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline is COc1ccc(/C=C\c2cc(N)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline?
The InChIKey is YMHQUKNCFCHOSK-PLNGDYQASA-N. The full InChI is InChI=1S/C17H20N2O3/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h4-10H,18-19H2,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline?
5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline has a molecular weight of 300.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline is sourced from PubChem (CID 11558484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).