1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine

C17H29NO3 — CID 116718117

IUPAC1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29NO3/c1-6-9-16(21-8-3)17(18-7-2)14-12-13(19-4)10-11-15(14)20-5/h10-12,16-18H,6-9H2,1-5H3
InChIKeyMKGVAFSNWNXIRF-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.56
Rot. Bonds10

About 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine

1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine (PubChem CID 116718117) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
PubChem CID116718117
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29NO3/c1-6-9-16(21-8-3)17(18-7-2)14-12-13(19-4)10-11-15(14)20-5/h10-12,16-18H,6-9H2,1-5H3
InChIKeyMKGVAFSNWNXIRF-UHFFFAOYSA-N
XLogP3.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
[1-(2,4-dimethoxyphenyl)-2-ethoxypentyl]hydrazine
CID 105271557
[2-ethoxy-1-(5-fluoro-2-methoxyphenyl)pentyl]hydrazine
CID 105271459
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine (CID 116718117) is 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine is CCCC(OCC)C(NCC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The InChIKey is MKGVAFSNWNXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-9-16(21-8-3)17(18-7-2)14-12-13(19-4)10-11-15(14)20-5/h10-12,16-18H,6-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 116718117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).