1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine

C15H25NO4 — CID 116810595

IUPAC1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO4/c1-6-19-15(20-7-2)14(16-3)13-11(17-4)9-8-10-12(13)18-5/h8-10,14-16H,6-7H2,1-5H3
InChIKeyZFIISFTUARIZOK-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.36
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine

1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine (PubChem CID 116810595) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
PubChem CID116810595
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO4/c1-6-19-15(20-7-2)14(16-3)13-11(17-4)9-8-10-12(13)18-5/h8-10,14-16H,6-7H2,1-5H3
InChIKeyZFIISFTUARIZOK-UHFFFAOYSA-N
XLogP2.36
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
[1-(2,6-dimethoxyphenyl)-2-ethylbutyl]hydrazine
CID 105324117
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
1-(2,6-dimethoxyphenyl)-2-ethoxybutan-1-amine
CID 116810773
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029479
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine (CID 116810595) is 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine is CCOC(OCC)C(NC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine?
The InChIKey is ZFIISFTUARIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-19-15(20-7-2)14(16-3)13-11(17-4)9-8-10-12(13)18-5/h8-10,14-16H,6-7H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine?
1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine is sourced from PubChem (CID 116810595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).