1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

C16H27NO4 — CID 102928489

IUPAC1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO4/c1-5-17-15(8-9-21-11-10-18-2)14-7-6-13(19-3)12-16(14)20-4/h6-7,12,15,17H,5,8-11H2,1-4H3
InChIKeyWOIPKDAQTDQGEE-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.41
Rot. Bonds11

About 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102928489) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102928489
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO4/c1-5-17-15(8-9-21-11-10-18-2)14-7-6-13(19-3)12-16(14)20-4/h6-7,12,15,17H,5,8-11H2,1-4H3
InChIKeyWOIPKDAQTDQGEE-UHFFFAOYSA-N
XLogP2.41
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
1-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560891
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 102928240
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
[3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)propyl]hydrazine
CID 102930044
[1-(2-fluoro-4-methoxyphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 103397694
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (CID 102928489) is 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is CCNC(CCOCCOC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is WOIPKDAQTDQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-17-15(8-9-21-11-10-18-2)14-7-6-13(19-3)12-16(14)20-4/h6-7,12,15,17H,5,8-11H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 2.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102928489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).