2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine

C15H23NO3 — CID 62571173

IUPAC2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOc1ccccc1OCCNCC1CCOC1
InChIInChI=1S/C15H23NO3/c1-2-18-14-5-3-4-6-15(14)19-10-8-16-11-13-7-9-17-12-13/h3-6,13,16H,2,7-12H2,1H3
InChIKeyQPGIUGMCXAFBKD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.09
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62571173) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62571173
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOc1ccccc1OCCNCC1CCOC1
InChIInChI=1S/C15H23NO3/c1-2-18-14-5-3-4-6-15(14)19-10-8-16-11-13-7-9-17-12-13/h3-6,13,16H,2,7-12H2,1H3
InChIKeyQPGIUGMCXAFBKD-UHFFFAOYSA-N
XLogP2.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 95622093
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
2-[2-(oxan-4-ylmethylamino)ethoxy]benzoic acid
CID 103250909
3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
CID 106471139
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(oxolan-3-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 62584158
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 62571173) is 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is CCOc1ccccc1OCCNCC1CCOC1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is QPGIUGMCXAFBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-14-5-3-4-6-15(14)19-10-8-16-11-13-7-9-17-12-13/h3-6,13,16H,2,7-12H2,1H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62571173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).