2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine

C16H25NO2 — CID 104748355

IUPAC2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)(C)c1ccccc1OCC(N)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-16(2,3)13-6-4-5-7-15(13)19-11-14(17)12-8-9-18-10-12/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyKKEBSRFNWYXGCM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine

2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104748355) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104748355
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)(C)c1ccccc1OCC(N)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-16(2,3)13-6-4-5-7-15(13)19-11-14(17)12-8-9-18-10-12/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyKKEBSRFNWYXGCM-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553
2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748413
2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238682
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine (CID 104748355) is 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine is CC(C)(C)c1ccccc1OCC(N)C1CCOC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is KKEBSRFNWYXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)13-6-4-5-7-15(13)19-11-14(17)12-8-9-18-10-12/h4-7,12,14H,8-11,17H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine?
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).