[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium

C20H25N2O2+ — CID 102432985

IUPAC[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
SMILESCOc1ccc(Cn2cc([N+](C)(C)C)c3ccccc32)cc1OC
InChIInChI=1S/C20H25N2O2/c1-22(2,3)18-14-21(17-9-7-6-8-16(17)18)13-15-10-11-19(23-4)20(12-15)24-5/h6-12,14H,13H2,1-5H3/q+1
InChIKeyMWXBJQBQMBORCF-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.90
Rot. Bonds5

About [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium

[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium (PubChem CID 102432985) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium.

Molecular Properties

Compound Name[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
PubChem CID102432985
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
SMILESCOc1ccc(Cn2cc([N+](C)(C)C)c3ccccc32)cc1OC
InChIInChI=1S/C20H25N2O2/c1-22(2,3)18-14-21(17-9-7-6-8-16(17)18)13-15-10-11-19(23-4)20(12-15)24-5/h6-12,14H,13H2,1-5H3/q+1
InChIKeyMWXBJQBQMBORCF-UHFFFAOYSA-N
XLogP3.90
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium 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

3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
CID 106785915
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
CID 95922052
3-[[3-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 133169278
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
CID 59014808
2-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124822309
2-(3,4-dimethoxyphenyl)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 6243634
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3653922
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
CID 74763463
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carbaldehyde
CID 43555151

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium?
The IUPAC name of [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium (CID 102432985) is [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium.
What is the SMILES notation for [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium?
The canonical SMILES for [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium is COc1ccc(Cn2cc([N+](C)(C)C)c3ccccc32)cc1OC.
What is the InChIKey of [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium?
The InChIKey is MWXBJQBQMBORCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O2/c1-22(2,3)18-14-21(17-9-7-6-8-16(17)18)13-15-10-11-19(23-4)20(12-15)24-5/h6-12,14H,13H2,1-5H3/q+1.
What are the key properties of [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium?
[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium has a molecular weight of 325.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium is sourced from PubChem (CID 102432985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).