2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol

C11H21NO3 — CID 102652331

IUPAC2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1=CCCO1
InChIInChI=1S/C11H21NO3/c1-11(13,10-4-3-8-15-10)5-6-12-7-9-14-2/h4,12-13H,3,5-9H2,1-2H3
InChIKeyKNJRRRKCWRFRAZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.67
Rot. Bonds7

About 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol

2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 102652331) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID102652331
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1=CCCO1
InChIInChI=1S/C11H21NO3/c1-11(13,10-4-3-8-15-10)5-6-12-7-9-14-2/h4,12-13H,3,5-9H2,1-2H3
InChIKeyKNJRRRKCWRFRAZ-UHFFFAOYSA-N
XLogP0.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.67
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

CID 167206185
CID 167206185
CID 102646436
CID 102646436
CID 102648202
CID 102648202
CID 102648203
CID 102648203
CID 102648204
CID 102648204
CID 102648205
CID 102648205
CID 102648206
CID 102648206
CID 102648207
CID 102648207
CID 102648208
CID 102648208
CID 102648209
CID 102648209
CID 102648210
CID 102648210
CID 102648211
CID 102648211

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol (CID 102652331) is 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)C1=CCCO1.
What is the InChIKey of 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is KNJRRRKCWRFRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(13,10-4-3-8-15-10)5-6-12-7-9-14-2/h4,12-13H,3,5-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol?
2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 215.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-5-yl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 102652331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).