1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

C16H27NO3 — CID 116810817

IUPAC1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)c1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-7-16(8-2,20-6)15(17-3)14-12(18-4)10-9-11-13(14)19-5/h9-11,15,17H,7-8H2,1-6H3
InChIKeyLWQYSTFOBUSTNP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (PubChem CID 116810817) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
PubChem CID116810817
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)c1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-7-16(8-2,20-6)15(17-3)14-12(18-4)10-9-11-13(14)19-5/h9-11,15,17H,7-8H2,1-6H3
InChIKeyLWQYSTFOBUSTNP-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 116810333
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029479
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 116761004
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 116810595
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (CID 116810817) is 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is CCC(CC)(OC)C(NC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The InChIKey is LWQYSTFOBUSTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-16(8-2,20-6)15(17-3)14-12(18-4)10-9-11-13(14)19-5/h9-11,15,17H,7-8H2,1-6H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116810817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).