2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine

C15H25NO2 — CID 54944095

IUPAC2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCC(C)OCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-12(4)17-10-15(16)13-6-8-14(9-7-13)18-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyXKLBYJSRHGHAFI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds7

About 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine

2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 54944095) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID54944095
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCC(C)OCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-12(4)17-10-15(16)13-6-8-14(9-7-13)18-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyXKLBYJSRHGHAFI-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103487616
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184596
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine (CID 54944095) is 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine is CCC(C)OCC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is XKLBYJSRHGHAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12(4)17-10-15(16)13-6-8-14(9-7-13)18-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3.
What are the key properties of 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 54944095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).