2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine

C15H25NO2 — CID 106680928

IUPAC2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H25NO2/c1-7-12(17-5)15(16-4)14-11(3)8-10(2)9-13(14)18-6/h8-9,12,15-16H,7H2,1-6H3
InChIKeyXERMEYFZXMQFAQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.00
Rot. Bonds6

About 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine

2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 106680928) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID106680928
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H25NO2/c1-7-12(17-5)15(16-4)14-11(3)8-10(2)9-13(14)18-6/h8-9,12,15-16H,7H2,1-6H3
InChIKeyXERMEYFZXMQFAQ-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 106881987
2-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]butanenitrile
CID 116960583
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682086
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
[2,2-difluoro-1-(2-methoxy-4,6-dimethylphenyl)ethyl]hydrazine
CID 106682824
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine (CID 106680928) is 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine is CCC(OC)C(NC)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is XERMEYFZXMQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-12(17-5)15(16-4)14-11(3)8-10(2)9-13(14)18-6/h8-9,12,15-16H,7H2,1-6H3.
What are the key properties of 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 106680928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).