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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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine
CID 43127780
N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63474567
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43127437
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296

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).