5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline

C24H24N2O2 — CID 24786217

IUPAC5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
SMILESCOc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)c2)cc1N
InChIInChI=1S/C24H24N2O2/c1-27-23-12-10-19(15-21(23)25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-24(28-2)22(26)16-20/h3-16H,25-26H2,1-2H3/b8-6+,9-7+
InChIKeyXDJHRHMECMPQAB-CDJQDVQCSA-N
MW372.47 g/mol
LogP5.21
Rot. Bonds6

About 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline

5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline (PubChem CID 24786217) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
PubChem CID24786217
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
SMILESCOc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)c2)cc1N
InChIInChI=1S/C24H24N2O2/c1-27-23-12-10-19(15-21(23)25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-24(28-2)22(26)16-20/h3-16H,25-26H2,1-2H3/b8-6+,9-7+
InChIKeyXDJHRHMECMPQAB-CDJQDVQCSA-N
XLogP5.21
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
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

Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
o-Dianisidine dihydrochloride
CID 62311
(6E)-6-[(4-methoxyphenyl)hydrazinylidene]-4-phenylcyclohexa-2,4-dien-1-one
CID 4041039
4-Amino-4'-methoxystilbene
CID 5376491
o-Dianisidine hydrochloride
CID 12309823
2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2735929
Benzenamine, 4-[2-(2-methoxyphenyl)diazenyl]-2-methyl-
CID 4989294
2-Methoxy-5-(trifluoromethyl)aniline
CID 600637
Cis-3,4',5-trimethoxy-3'-aminostilbene
CID 10446642
5-[1-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenylamine
CID 11500187
5-[1-(3-Ethoxy-4-methoxy-phenyl)-vinyl]-2-methoxy-phenylamine
CID 11594581

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline?
The IUPAC name of 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline (CID 24786217) is 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline?
The canonical SMILES for 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline is COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)c2)cc1N.
What is the InChIKey of 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline?
The InChIKey is XDJHRHMECMPQAB-CDJQDVQCSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-27-23-12-10-19(15-21(23)25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-24(28-2)22(26)16-20/h3-16H,25-26H2,1-2H3/b8-6+,9-7+.
What are the key properties of 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline?
5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline has a molecular weight of 372.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline is sourced from PubChem (CID 24786217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).