2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine

C15H25NO2 — CID 54958248

IUPAC2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-15(2,3)8-10-18-14-11-12(7-9-16)5-6-13(14)17-4/h5-6,11H,7-10,16H2,1-4H3
InChIKeyOASUSLROTOXHIY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds6

About 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine

2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine (PubChem CID 54958248) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
PubChem CID54958248
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-15(2,3)8-10-18-14-11-12(7-9-16)5-6-13(14)17-4/h5-6,11H,7-10,16H2,1-4H3
InChIKeyOASUSLROTOXHIY-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252741
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79619998
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728330

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine (CID 54958248) is 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine is COc1ccc(CCN)cc1OCCC(C)(C)C.
What is the InChIKey of 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is OASUSLROTOXHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)8-10-18-14-11-12(7-9-16)5-6-13(14)17-4/h5-6,11H,7-10,16H2,1-4H3.
What are the key properties of 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine?
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 54958248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).