2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol

C13H21NO4 — CID 61069210

IUPAC2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
SMILESCCOc1cccc(CN)c1OCCOCCO
InChIInChI=1S/C13H21NO4/c1-2-17-12-5-3-4-11(10-14)13(12)18-9-8-16-7-6-15/h3-5,15H,2,6-10,14H2,1H3
InChIKeyHRPCEHJRTVASAT-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.93
Rot. Bonds9

About 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol

2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol (PubChem CID 61069210) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
PubChem CID61069210
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
SMILESCCOc1cccc(CN)c1OCCOCCO
InChIInChI=1S/C13H21NO4/c1-2-17-12-5-3-4-11(10-14)13(12)18-9-8-16-7-6-15/h3-5,15H,2,6-10,14H2,1H3
InChIKeyHRPCEHJRTVASAT-UHFFFAOYSA-N
XLogP0.93
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 113473255
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol (CID 61069210) is 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol is CCOc1cccc(CN)c1OCCOCCO.
What is the InChIKey of 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol?
The InChIKey is HRPCEHJRTVASAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-2-17-12-5-3-4-11(10-14)13(12)18-9-8-16-7-6-15/h3-5,15H,2,6-10,14H2,1H3.
What are the key properties of 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol?
2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol has a molecular weight of 255.31 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol is sourced from PubChem (CID 61069210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).