2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline

C17H19NO3 — CID 69247793

IUPAC2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline
SMILESCOc1cc(/C=C/c2ccc(OC)cc2N)cc(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,18H2,1-3H3/b5-4+
InChIKeyWLGDGTPTBUYXAQ-SNAWJCMRSA-N
MW285.34 g/mol
LogP3.46
Rot. Bonds5

About 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline

2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline (PubChem CID 69247793) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline
PubChem CID69247793
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline
SMILESCOc1cc(/C=C/c2ccc(OC)cc2N)cc(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,18H2,1-3H3/b5-4+
InChIKeyWLGDGTPTBUYXAQ-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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Related Compounds

1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 25050646
[5-[2-(2-amino-4-methoxyphenyl)ethenyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 123340958
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
2-(2,2-dibromoethenyl)-5-methoxyaniline
CID 164872734
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
CID 46845156
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 22630542
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
CID 174666755

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline?
The IUPAC name of 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline (CID 69247793) is 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline.
What is the SMILES notation for 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline?
The canonical SMILES for 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline is COc1cc(/C=C/c2ccc(OC)cc2N)cc(OC)c1.
What is the InChIKey of 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline?
The InChIKey is WLGDGTPTBUYXAQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,18H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline?
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline 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 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline is sourced from PubChem (CID 69247793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).