1-(2-aminoethoxy)ethanol;1-ethoxyethanol

C8H21NO4 — CID 157343406

IUPAC1-(2-aminoethoxy)ethanol;1-ethoxyethanol
SMILESCC(O)OCCN.CCOC(C)O
InChIInChI=1S/C4H11NO2.C4H10O2/c1-4(6)7-3-2-5;1-3-6-4(2)5/h4,6H,2-3,5H2,1H3;4-5H,3H2,1-2H3
InChIKeyBGRAKBFBQZUGBM-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.34
Rot. Bonds5

About 1-(2-aminoethoxy)ethanol;1-ethoxyethanol

1-(2-aminoethoxy)ethanol;1-ethoxyethanol (PubChem CID 157343406) has the molecular formula C8H21NO4 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-aminoethoxy)ethanol;1-ethoxyethanol.

Molecular Properties

Compound Name1-(2-aminoethoxy)ethanol;1-ethoxyethanol
PubChem CID157343406
Molecular FormulaC8H21NO4
Molecular Weight195.26 g/mol
Exact Mass195.15
IUPAC Name1-(2-aminoethoxy)ethanol;1-ethoxyethanol
SMILESCC(O)OCCN.CCOC(C)O
InChIInChI=1S/C4H11NO2.C4H10O2/c1-4(6)7-3-2-5;1-3-6-4(2)5/h4,6H,2-3,5H2,1H3;4-5H,3H2,1-2H3
InChIKeyBGRAKBFBQZUGBM-UHFFFAOYSA-N
XLogP-0.34
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
ethanamine;1-ethoxyethanol
CID 20501270
CID 159597367
CID 159597367
2-aminoethoxy(ethoxy)methanol
CID 155706478
strontium;1-ethoxyethanol;hydride
CID 174472576
1-(3-aminopropoxy)ethanol
CID 19915425
1-ethoxyethanol;N-methylmethanamine
CID 18941772
acetamide;1-ethoxyethanol
CID 175470032
4-(2-aminoethoxy)pentan-2-ol
CID 173098597
1-(2-aminoethoxy)propan-1-ol
CID 87147915
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
2-aminoethoxy(trihydroxy)phosphanium
CID 55290252

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)ethanol;1-ethoxyethanol?
The IUPAC name of 1-(2-aminoethoxy)ethanol;1-ethoxyethanol (CID 157343406) is 1-(2-aminoethoxy)ethanol;1-ethoxyethanol.
What is the SMILES notation for 1-(2-aminoethoxy)ethanol;1-ethoxyethanol?
The canonical SMILES for 1-(2-aminoethoxy)ethanol;1-ethoxyethanol is CC(O)OCCN.CCOC(C)O.
What is the InChIKey of 1-(2-aminoethoxy)ethanol;1-ethoxyethanol?
The InChIKey is BGRAKBFBQZUGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C4H10O2/c1-4(6)7-3-2-5;1-3-6-4(2)5/h4,6H,2-3,5H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of 1-(2-aminoethoxy)ethanol;1-ethoxyethanol?
1-(2-aminoethoxy)ethanol;1-ethoxyethanol has a molecular weight of 195.26 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)ethanol;1-ethoxyethanol is sourced from PubChem (CID 157343406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).