1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol

C13H21NO4 — CID 82726496

IUPAC1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
SMILESCC1OCCC1NCC(O)COCc1ccco1
InChIInChI=1S/C13H21NO4/c1-10-13(4-6-17-10)14-7-11(15)8-16-9-12-3-2-5-18-12/h2-3,5,10-11,13-15H,4,6-9H2,1H3
InChIKeyHXFPCLMPUKUKDB-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.92
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol (PubChem CID 82726496) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
PubChem CID82726496
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
SMILESCC1OCCC1NCC(O)COCc1ccco1
InChIInChI=1S/C13H21NO4/c1-10-13(4-6-17-10)14-7-11(15)8-16-9-12-3-2-5-18-12/h2-3,5,10-11,13-15H,4,6-9H2,1H3
InChIKeyHXFPCLMPUKUKDB-UHFFFAOYSA-N
XLogP0.92
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
3-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-2-methyloxolan-3-ol
CID 106101114
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 63922347
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol (CID 82726496) is 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol is CC1OCCC1NCC(O)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol?
The InChIKey is HXFPCLMPUKUKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10-13(4-6-17-10)14-7-11(15)8-16-9-12-3-2-5-18-12/h2-3,5,10-11,13-15H,4,6-9H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 82726496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).