2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol

C8H19NO3 — CID 138577092

IUPAC2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
SMILESCC(CCOCCN)OCCO
InChIInChI=1S/C8H19NO3/c1-8(12-7-4-10)2-5-11-6-3-9/h8,10H,2-7,9H2,1H3
InChIKeyHCIOBBLBVFMESP-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.25
Rot. Bonds8

About 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol

2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol (PubChem CID 138577092) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
PubChem CID138577092
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
SMILESCC(CCOCCN)OCCO
InChIInChI=1S/C8H19NO3/c1-8(12-7-4-10)2-5-11-6-3-9/h8,10H,2-7,9H2,1H3
InChIKeyHCIOBBLBVFMESP-UHFFFAOYSA-N
XLogP-0.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
3-(2-hydroxyethoxy)butyl formate
CID 88906039
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-[3-(3-methyl-3-prop-2-ynoxybutoxy)butoxy]ethanamine
CID 89163082
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol?
The IUPAC name of 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol (CID 138577092) is 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol.
What is the SMILES notation for 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol?
The canonical SMILES for 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol is CC(CCOCCN)OCCO.
What is the InChIKey of 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol?
The InChIKey is HCIOBBLBVFMESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-8(12-7-4-10)2-5-11-6-3-9/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol?
2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol has a molecular weight of 177.24 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol is sourced from PubChem (CID 138577092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).