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

C13H22N2O3 — CID 54949730

IUPAC1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COCc2ccco2)C1
InChIInChI=1S/C13H22N2O3/c1-15-5-4-11(8-15)14-7-12(16)9-17-10-13-3-2-6-18-13/h2-3,6,11-12,14,16H,4-5,7-10H2,1H3
InChIKeyAZKZGNDUUDFHJC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.45
Rot. Bonds7

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

1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol (PubChem CID 54949730) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
PubChem CID54949730
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COCc2ccco2)C1
InChIInChI=1S/C13H22N2O3/c1-15-5-4-11(8-15)14-7-12(16)9-17-10-13-3-2-6-18-13/h2-3,6,11-12,14,16H,4-5,7-10H2,1H3
InChIKeyAZKZGNDUUDFHJC-UHFFFAOYSA-N
XLogP0.45
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60633413
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
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(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95345327
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95751108
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
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1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82726496
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol (CID 54949730) is 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol is CN1CCC(NCC(O)COCc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
The InChIKey is AZKZGNDUUDFHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15-5-4-11(8-15)14-7-12(16)9-17-10-13-3-2-6-18-13/h2-3,6,11-12,14,16H,4-5,7-10H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.45, 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-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 54949730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).