1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine

C13H21NO3 — CID 105165629

IUPAC1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1cccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-5-14-11(9-15-2)10-7-6-8-12(16-3)13(10)17-4/h6-8,11,14H,5,9H2,1-4H3
InChIKeyDOQXGXPEINQZNW-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.00
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine

1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 105165629) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
PubChem CID105165629
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1cccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-5-14-11(9-15-2)10-7-6-8-12(16-3)13(10)17-4/h6-8,11,14H,5,9H2,1-4H3
InChIKeyDOQXGXPEINQZNW-UHFFFAOYSA-N
XLogP2.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
CID 80605401
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
CID 105139259
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105190249
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine (CID 105165629) is 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine is CCNC(COC)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is DOQXGXPEINQZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-14-11(9-15-2)10-7-6-8-12(16-3)13(10)17-4/h6-8,11,14H,5,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine?
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 239.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 105165629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).