1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol

C9H24N2O3 — CID 175145973

IUPAC1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCCNC(C)O.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.C4H11NO/c1-6(2-4-7)3-5-8;1-3-5-4(2)6/h7-8H,2-5H2,1H3;4-6H,3H2,1-2H3
InChIKeyNEPYBOALLBGXGI-UHFFFAOYSA-N
MW208.30 g/mol
LogP-1.16
Rot. Bonds6

About 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol

1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 175145973) has the molecular formula C9H24N2O3 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID175145973
Molecular FormulaC9H24N2O3
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCCNC(C)O.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.C4H11NO/c1-6(2-4-7)3-5-8;1-3-5-4(2)6/h7-8H,2-5H2,1H3;4-6H,3H2,1-2H3
InChIKeyNEPYBOALLBGXGI-UHFFFAOYSA-N
XLogP-1.16
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
CID 88755673
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
1-(ethylamino)ethanol;2-(ethylamino)ethanol
CID 157298760
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[methyl-[3-(methylamino)butyl]amino]ethanol
CID 167236855
1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 88556534
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 175145973) is 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol is CCNC(C)O.CN(CCO)CCO.
What is the InChIKey of 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is NEPYBOALLBGXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C4H11NO/c1-6(2-4-7)3-5-8;1-3-5-4(2)6/h7-8H,2-5H2,1H3;4-6H,3H2,1-2H3.
What are the key properties of 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol?
1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 208.30 g/mol, XLogP of -1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 175145973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).