1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine

C15H25NO3 — CID 43127780

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine
SMILESCCC(C)(C)OCC(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-15(2,3)19-10-12(16)11-7-8-13(17-4)14(9-11)18-5/h7-9,12H,6,10,16H2,1-5H3
InChIKeyHYTZMIOEUFAJEK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.91
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine

1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine (PubChem CID 43127780) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine
PubChem CID43127780
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine
SMILESCCC(C)(C)OCC(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-15(2,3)19-10-12(16)11-7-8-13(17-4)14(9-11)18-5/h7-9,12H,6,10,16H2,1-5H3
InChIKeyHYTZMIOEUFAJEK-UHFFFAOYSA-N
XLogP2.91
TPSA53.71 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43127773
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine
CID 43127540
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine (CID 43127780) is 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine is CCC(C)(C)OCC(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine?
The InChIKey is HYTZMIOEUFAJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-15(2,3)19-10-12(16)11-7-8-13(17-4)14(9-11)18-5/h7-9,12H,6,10,16H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine?
1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine is sourced from PubChem (CID 43127780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).