1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine

C15H25NO2 — CID 116810587

IUPAC1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO2/c1-5-7-9-12(16-6-2)15-13(17-3)10-8-11-14(15)18-4/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyLZSJSLJUQYTCBO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.54
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine

1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine (PubChem CID 116810587) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
PubChem CID116810587
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO2/c1-5-7-9-12(16-6-2)15-13(17-3)10-8-11-14(15)18-4/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyLZSJSLJUQYTCBO-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
1-(2,6-dimethoxyphenyl)hexylhydrazine
CID 105294707
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine (CID 116810587) is 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine is CCCCC(NCC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine?
The InChIKey is LZSJSLJUQYTCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-7-9-12(16-6-2)15-13(17-3)10-8-11-14(15)18-4/h8,10-12,16H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine?
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 116810587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).