bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

C21H30NO4+ — CID 5715

IUPACbis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESCOc1ccc(CC[NH+](C)CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3/p+1
InChIKeyOXZMQFKVNVQMLI-UHFFFAOYSA-O
MW360.47 g/mol
LogP2.02
Rot. Bonds10

About bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium (PubChem CID 5715) has the molecular formula C21H30NO4+ and a molecular weight of 360.47 g/mol. Its IUPAC name is bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium.

Molecular Properties

Compound Namebis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
PubChem CID5715
Molecular FormulaC21H30NO4+
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Namebis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESCOc1ccc(CC[NH+](C)CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3/p+1
InChIKeyOXZMQFKVNVQMLI-UHFFFAOYSA-O
XLogP2.02
TPSA41.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium 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

(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7427771
2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
CID 2227478
2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 6962088
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8583864
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7998073
(4-tert-butylcyclohexyl)-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7445822
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259

Frequently Asked Questions

What is the IUPAC name of bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The IUPAC name of bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium (CID 5715) is bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium.
What is the SMILES notation for bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The canonical SMILES for bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium is COc1ccc(CC[NH+](C)CCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The InChIKey is OXZMQFKVNVQMLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3/p+1.
What are the key properties of bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium has a molecular weight of 360.47 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium is sourced from PubChem (CID 5715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).