1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine

C15H23NO4 — CID 103546709

IUPAC1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1OCCO1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-4-16-13(10-15-19-7-8-20-15)12-6-5-11(17-2)9-14(12)18-3/h5-6,9,13,15-16H,4,7-8,10H2,1-3H3
InChIKeyMJNZJLRVGKCEQW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.12
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine

1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine (PubChem CID 103546709) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
PubChem CID103546709
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1OCCO1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-4-16-13(10-15-19-7-8-20-15)12-6-5-11(17-2)9-14(12)18-3/h5-6,9,13,15-16H,4,7-8,10H2,1-3H3
InChIKeyMJNZJLRVGKCEQW-UHFFFAOYSA-N
XLogP2.12
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547345
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103547077
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
[1-(2,4-dimethoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267581
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928489
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546701
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine (CID 103546709) is 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine is CCNC(CC1OCCO1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The InChIKey is MJNZJLRVGKCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-16-13(10-15-19-7-8-20-15)12-6-5-11(17-2)9-14(12)18-3/h5-6,9,13,15-16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine has a molecular weight of 281.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103546709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).