2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium

C28H32NO2+ — CID 7323689

IUPAC2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium
SMILESCOc1ccc(CC[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C28H31NO2/c1-30-27-18-17-26(23-28(27)31-2)19-22-29(20-9-15-24-11-5-3-6-12-24)21-10-16-25-13-7-4-8-14-25/h3-18,23H,19-22H2,1-2H3/p+1/b15-9+,16-10+
InChIKeyDGMKTUPPIQWSRM-KAVGSWPWSA-O
MW414.57 g/mol
LogP4.56
Rot. Bonds11

About 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium (PubChem CID 7323689) has the molecular formula C28H32NO2+ and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium
PubChem CID7323689
Molecular FormulaC28H32NO2+
Molecular Weight414.57 g/mol
Exact Mass414.24
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium
SMILESCOc1ccc(CC[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C28H31NO2/c1-30-27-18-17-26(23-28(27)31-2)19-22-29(20-9-15-24-11-5-3-6-12-24)21-10-16-25-13-7-4-8-14-25/h3-18,23H,19-22H2,1-2H3/p+1/b15-9+,16-10+
InChIKeyDGMKTUPPIQWSRM-KAVGSWPWSA-O
XLogP4.56
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
CID 155112210
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane
CID 139667876
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]oxadiazol-3-ium-5-amine
CID 170909177
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylbut-3-en-1-amine
CID 127037059
4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-[(Z)-2-phenylethenyl]phenyl]-N-methylbutan-2-amine
CID 67935744
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
CID 7323736
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
benzyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7320153
(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7427771

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium (CID 7323689) is 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium is COc1ccc(CC[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium?
The InChIKey is DGMKTUPPIQWSRM-KAVGSWPWSA-O. The full InChI is InChI=1S/C28H31NO2/c1-30-27-18-17-26(23-28(27)31-2)19-22-29(20-9-15-24-11-5-3-6-12-24)21-10-16-25-13-7-4-8-14-25/h3-18,23H,19-22H2,1-2H3/p+1/b15-9+,16-10+.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium?
2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium has a molecular weight of 414.57 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium is sourced from PubChem (CID 7323689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).