4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane

C27H32N2O2 — CID 90729322

IUPAC4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
SMILESCCC.COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(N)cc1
InChIInChI=1S/C24H24N2O2.C3H8/c1-27-23-15-20(10-4-18-7-13-22(26)14-8-18)24(28-2)16-19(23)9-3-17-5-11-21(25)12-6-17;1-3-2/h3-16H,25-26H2,1-2H3;3H2,1-2H3/b9-3+,10-4+;
InChIKeyQOXMGYYMNHOYAS-RUACYTINSA-N
MW416.57 g/mol
LogP6.63
Rot. Bonds6

About 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane

4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane (PubChem CID 90729322) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
PubChem CID90729322
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
SMILESCCC.COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(N)cc1
InChIInChI=1S/C24H24N2O2.C3H8/c1-27-23-15-20(10-4-18-7-13-22(26)14-8-18)24(28-2)16-19(23)9-3-17-5-11-21(25)12-6-17;1-3-2/h3-16H,25-26H2,1-2H3;3H2,1-2H3/b9-3+,10-4+;
InChIKeyQOXMGYYMNHOYAS-RUACYTINSA-N
XLogP6.63
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.63
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

4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 101371882
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
CID 101050457
4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine
CID 86013631
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-3-methoxyphenyl]ethenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 53245822
1-(chloromethyl)-2,5-dimethoxy-4-(2-phenylethenyl)benzene
CID 67839791
4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-[4-[methyl(propyl)amino]phenyl]ethenyl]phenyl]ethenyl]aniline;1-(4-methylphenyl)-2-prop-1-en-2-yloxyethanone
CID 143610924
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hexadecoxy-5-methoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 102389552
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane (CID 90729322) is 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane is CCC.COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(N)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane?
The InChIKey is QOXMGYYMNHOYAS-RUACYTINSA-N. The full InChI is InChI=1S/C24H24N2O2.C3H8/c1-27-23-15-20(10-4-18-7-13-22(26)14-8-18)24(28-2)16-19(23)9-3-17-5-11-21(25)12-6-17;1-3-2/h3-16H,25-26H2,1-2H3;3H2,1-2H3/b9-3+,10-4+;.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane?
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane has a molecular weight of 416.57 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane is sourced from PubChem (CID 90729322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).