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

C15H23NO2 — CID 113448536

IUPAC1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccc(OCC(N)C2CCOC2)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)12-3-5-14(6-4-12)18-10-15(16)13-7-8-17-9-13/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKeyDVMWSSUQVASDIO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds5

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

1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine (PubChem CID 113448536) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
PubChem CID113448536
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccc(OCC(N)C2CCOC2)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)12-3-5-14(6-4-12)18-10-15(16)13-7-8-17-9-13/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKeyDVMWSSUQVASDIO-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine (CID 113448536) is 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine is CC(C)c1ccc(OCC(N)C2CCOC2)cc1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine?
The InChIKey is DVMWSSUQVASDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)12-3-5-14(6-4-12)18-10-15(16)13-7-8-17-9-13/h3-6,11,13,15H,7-10,16H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine?
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 113448536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).