2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine

C23H43NO2Si — CID 135049124

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine
SMILESCCCC[Si](CCCC)(CCCC)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H43NO2Si/c1-7-10-17-27(18-11-8-2,19-12-9-3)24(4)16-15-21-13-14-22(25-5)23(20-21)26-6/h13-14,20H,7-12,15-19H2,1-6H3
InChIKeyGXOAPTVWSFZHIK-UHFFFAOYSA-N
MW393.69 g/mol
LogP6.52
Rot. Bonds15

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine (PubChem CID 135049124) has the molecular formula C23H43NO2Si and a molecular weight of 393.69 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine
PubChem CID135049124
Molecular FormulaC23H43NO2Si
Molecular Weight393.69 g/mol
Exact Mass393.31
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine
SMILESCCCC[Si](CCCC)(CCCC)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H43NO2Si/c1-7-10-17-27(18-11-8-2,19-12-9-3)24(4)16-15-21-13-14-22(25-5)23(20-21)26-6/h13-14,20H,7-12,15-19H2,1-6H3
InChIKeyGXOAPTVWSFZHIK-UHFFFAOYSA-N
XLogP6.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.69
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethyl-3-pentylguanidine
CID 111241177
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylguanidine
CID 111160290
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-propylhydrazine
CID 54380711
1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethyl-3-propylguanidine;hydroiodide
CID 111241340
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-propylurea
CID 108891350
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
(Z)-3-[butyl(methyl)amino]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108836363
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine (CID 135049124) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine is CCCC[Si](CCCC)(CCCC)N(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine?
The InChIKey is GXOAPTVWSFZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2Si/c1-7-10-17-27(18-11-8-2,19-12-9-3)24(4)16-15-21-13-14-22(25-5)23(20-21)26-6/h13-14,20H,7-12,15-19H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine has a molecular weight of 393.69 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-tributylsilylethanamine is sourced from PubChem (CID 135049124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).