2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine

C14H21NO3 — CID 104748364

IUPAC2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCCOc1ccc(OCC(N)C2CCOC2)cc1
InChIInChI=1S/C14H21NO3/c1-2-17-12-3-5-13(6-4-12)18-10-14(15)11-7-8-16-9-11/h3-6,11,14H,2,7-10,15H2,1H3
InChIKeyLWWKQMDGJBTLSD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine

2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104748364) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104748364
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCCOc1ccc(OCC(N)C2CCOC2)cc1
InChIInChI=1S/C14H21NO3/c1-2-17-12-3-5-13(6-4-12)18-10-14(15)11-7-8-16-9-11/h3-6,11,14H,2,7-10,15H2,1H3
InChIKeyLWWKQMDGJBTLSD-UHFFFAOYSA-N
XLogP1.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
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
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
CID 112517181

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine (CID 104748364) is 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine is CCOc1ccc(OCC(N)C2CCOC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is LWWKQMDGJBTLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-17-12-3-5-13(6-4-12)18-10-14(15)11-7-8-16-9-11/h3-6,11,14H,2,7-10,15H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine?
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).