1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

C16H27NO3 — CID 105188719

IUPAC1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)c1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-6-17-13(10-12(2)11-18-3)16-14(19-4)8-7-9-15(16)20-5/h7-9,12-13,17H,6,10-11H2,1-5H3
InChIKeyYZMJHRGRPRYSER-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.03
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 105188719) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
PubChem CID105188719
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)c1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-6-17-13(10-12(2)11-18-3)16-14(19-4)8-7-9-15(16)20-5/h7-9,12-13,17H,6,10-11H2,1-5H3
InChIKeyYZMJHRGRPRYSER-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105164508
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
CID 116810739
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (CID 105188719) is 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is CCNC(CC(C)COC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is YZMJHRGRPRYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-17-13(10-12(2)11-18-3)16-14(19-4)8-7-9-15(16)20-5/h7-9,12-13,17H,6,10-11H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105188719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).