2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine

C16H25NO2 — CID 107664229

IUPAC2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCCC(C)c1ccc(OCC(N)C2CCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-12(2)13-4-6-15(7-5-13)19-11-16(17)14-8-9-18-10-14/h4-7,12,14,16H,3,8-11,17H2,1-2H3
InChIKeyWKRIFJXCHBXTTE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine

2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 107664229) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID107664229
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCCC(C)c1ccc(OCC(N)C2CCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-12(2)13-4-6-15(7-5-13)19-11-16(17)14-8-9-18-10-14/h4-7,12,14,16H,3,8-11,17H2,1-2H3
InChIKeyWKRIFJXCHBXTTE-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
3-[bromo-(4-butan-2-ylphenyl)methyl]oxane
CID 63438633

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine (CID 107664229) is 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine is CCC(C)c1ccc(OCC(N)C2CCOC2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is WKRIFJXCHBXTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-12(2)13-4-6-15(7-5-13)19-11-16(17)14-8-9-18-10-14/h4-7,12,14,16H,3,8-11,17H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine?
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 107664229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).