1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine

C16H27NO3 — CID 116717031

IUPAC1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1OC)C(CC)OCC
InChIInChI=1S/C16H27NO3/c1-6-14(20-8-3)16(17-7-2)13-10-9-12(18-4)11-15(13)19-5/h9-11,14,16-17H,6-8H2,1-5H3
InChIKeyPWRTWHIJNGYNQS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine

1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine (PubChem CID 116717031) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
PubChem CID116717031
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1OC)C(CC)OCC
InChIInChI=1S/C16H27NO3/c1-6-14(20-8-3)16(17-7-2)13-10-9-12(18-4)11-15(13)19-5/h9-11,14,16-17H,6-8H2,1-5H3
InChIKeyPWRTWHIJNGYNQS-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
[1-(2,4-dimethoxyphenyl)-2-ethoxypentyl]hydrazine
CID 105271557
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
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-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
[1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273908
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine (CID 116717031) is 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine is CCNC(c1ccc(OC)cc1OC)C(CC)OCC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The InChIKey is PWRTWHIJNGYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-14(20-8-3)16(17-7-2)13-10-9-12(18-4)11-15(13)19-5/h9-11,14,16-17H,6-8H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine?
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine is sourced from PubChem (CID 116717031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).