1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine

C15H25NO3 — CID 103029479

IUPAC1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)(C)OC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-15(2,19-6)10-11(16-3)14-12(17-4)8-7-9-13(14)18-5/h7-9,11,16H,10H2,1-6H3
InChIKeyOJPHPNQOOJIWEP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine

1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 103029479) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
PubChem CID103029479
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)(C)OC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-15(2,19-6)10-11(16-3)14-12(17-4)8-7-9-13(14)18-5/h7-9,11,16H,10H2,1-6H3
InChIKeyOJPHPNQOOJIWEP-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 116810333
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148227
1-(2,6-difluoro-3-methylphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028942
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
1-(2,6-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 116810595
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
1-(2,6-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997696
(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 106665907

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine (CID 103029479) is 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine is CNC(CC(C)(C)OC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is OJPHPNQOOJIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,19-6)10-11(16-3)14-12(17-4)8-7-9-13(14)18-5/h7-9,11,16H,10H2,1-6H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine?
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 103029479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).