1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol

C11H23NO3 — CID 103906098

IUPAC1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)C1CCOC1
InChIInChI=1S/C11H23NO3/c1-9(10-4-6-15-7-10)12-5-3-11(13)8-14-2/h9-13H,3-8H2,1-2H3
InChIKeyITRBBECEDGYNMH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.40
Rot. Bonds7

About 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol

1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol (PubChem CID 103906098) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
PubChem CID103906098
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
SMILESCOCC(O)CCNC(C)C1CCOC1
InChIInChI=1S/C11H23NO3/c1-9(10-4-6-15-7-10)12-5-3-11(13)8-14-2/h9-13H,3-8H2,1-2H3
InChIKeyITRBBECEDGYNMH-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol 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

3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115707883
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 115890629
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
CID 106248256
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889049

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol (CID 103906098) is 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol is COCC(O)CCNC(C)C1CCOC1.
What is the InChIKey of 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol?
The InChIKey is ITRBBECEDGYNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(10-4-6-15-7-10)12-5-3-11(13)8-14-2/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol?
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 103906098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).