2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine

C16H27NO — CID 43127773

IUPAC2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC(C)(C)OCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-16(4,5)18-11-15(17)14-9-7-13(8-10-14)12(2)3/h7-10,12,15H,6,11,17H2,1-5H3
InChIKeyFQMYSGMGIRMCIL-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.01
Rot. Bonds6

About 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine

2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43127773) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43127773
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC(C)(C)OCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-16(4,5)18-11-15(17)14-9-7-13(8-10-14)12(2)3/h7-10,12,15H,6,11,17H2,1-5H3
InChIKeyFQMYSGMGIRMCIL-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine (CID 43127773) is 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine is CCC(C)(C)OCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is FQMYSGMGIRMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(4,5)18-11-15(17)14-9-7-13(8-10-14)12(2)3/h7-10,12,15H,6,11,17H2,1-5H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43127773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).