2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium

C22H28NO4+ — CID 7323736

IUPAC2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
SMILESCOc1ccc(CC[NH+](Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C22H27NO4/c1-16-5-8-19(26-16)14-23(15-20-9-6-17(2)27-20)12-11-18-7-10-21(24-3)22(13-18)25-4/h5-10,13H,11-12,14-15H2,1-4H3/p+1
InChIKeyCYQQPFWMPLQENJ-UHFFFAOYSA-O
MW370.47 g/mol
LogP3.33
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 7323736) has the molecular formula C22H28NO4+ and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
PubChem CID7323736
Molecular FormulaC22H28NO4+
Molecular Weight370.47 g/mol
Exact Mass370.20
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
SMILESCOc1ccc(CC[NH+](Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C22H27NO4/c1-16-5-8-19(26-16)14-23(15-20-9-6-17(2)27-20)12-11-18-7-10-21(24-3)22(13-18)25-4/h5-10,13H,11-12,14-15H2,1-4H3/p+1
InChIKeyCYQQPFWMPLQENJ-UHFFFAOYSA-O
XLogP3.33
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium
CID 7318686
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
CID 17053061
3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline
CID 19706281
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 119111120
2-(3,4-dimethoxyphenyl)ethyl-bis[(E)-3-phenylprop-2-enyl]azanium
CID 7323689
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium
CID 7415754
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5026489
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium (CID 7323736) is 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium is COc1ccc(CC[NH+](Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is CYQQPFWMPLQENJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27NO4/c1-16-5-8-19(26-16)14-23(15-20-9-6-17(2)27-20)12-11-18-7-10-21(24-3)22(13-18)25-4/h5-10,13H,11-12,14-15H2,1-4H3/p+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium?
2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 370.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 7323736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).