2-(2-aminoethoxy)-1-(diethylamino)ethanol

C8H20N2O2 — CID 57026530

IUPAC2-(2-aminoethoxy)-1-(diethylamino)ethanol
SMILESCCN(CC)C(O)COCCN
InChIInChI=1S/C8H20N2O2/c1-3-10(4-2)8(11)7-12-6-5-9/h8,11H,3-7,9H2,1-2H3
InChIKeyGFMIGSYZXCYUBO-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.38
Rot. Bonds7

About 2-(2-aminoethoxy)-1-(diethylamino)ethanol

2-(2-aminoethoxy)-1-(diethylamino)ethanol (PubChem CID 57026530) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(diethylamino)ethanol.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(diethylamino)ethanol
PubChem CID57026530
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-(2-aminoethoxy)-1-(diethylamino)ethanol
SMILESCCN(CC)C(O)COCCN
InChIInChI=1S/C8H20N2O2/c1-3-10(4-2)8(11)7-12-6-5-9/h8,11H,3-7,9H2,1-2H3
InChIKeyGFMIGSYZXCYUBO-UHFFFAOYSA-N
XLogP-0.38
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Diethylaminoethoxyethanol
CID 67327
Ethanol, 2-[[2-(2-hydroxyethoxy)ethyl]methylamino]-
CID 109756
1-[2-(2-Hydroxyethoxy)ethyl]piperazine
CID 139436
Ethanol, 2-2-(2-hydroxyethoxy)ethylamino-
CID 4396106
2-(2-((2-(2-Hydroxyethoxy)ethyl)amino)ethoxy)ethan-1-ol
CID 12212447
2-(2-(Methylamino)ethoxy)ethan-1-ol
CID 15514970
2-(2-{[2-(Dimethylamino)ethyl]amino}ethoxy)ethan-1-ol
CID 50988953
2,2'-[(Methylimino)bis(ethane-2,1-diyloxy)]diethanol
CID 12458288
2-(2-(Ethylamino)ethoxy)ethan-1-ol
CID 28727773
2-{2-[(2-Aminoethyl)(methyl)amino]ethoxy}ethan-1-ol
CID 61350840
2-{[2-(2-Methoxyethoxy)ethyl]amino}ethan-1-ol
CID 61848139
2-[2-(2-Diethylamino-ethoxy)-eth oxy]-ethanol
CID 526625

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(diethylamino)ethanol?
The IUPAC name of 2-(2-aminoethoxy)-1-(diethylamino)ethanol (CID 57026530) is 2-(2-aminoethoxy)-1-(diethylamino)ethanol.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(diethylamino)ethanol?
The canonical SMILES for 2-(2-aminoethoxy)-1-(diethylamino)ethanol is CCN(CC)C(O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-1-(diethylamino)ethanol?
The InChIKey is GFMIGSYZXCYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-3-10(4-2)8(11)7-12-6-5-9/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-1-(diethylamino)ethanol?
2-(2-aminoethoxy)-1-(diethylamino)ethanol has a molecular weight of 176.26 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(diethylamino)ethanol is sourced from PubChem (CID 57026530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).