1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol

C11H15NO3 — CID 60649357

IUPAC1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
SMILESC#CCNCC(O)COCc1ccco1
InChIInChI=1S/C11H15NO3/c1-2-5-12-7-10(13)8-14-9-11-4-3-6-15-11/h1,3-4,6,10,12-13H,5,7-9H2
InChIKeyKEHRXGVCHHJWCL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.38
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol

1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol (PubChem CID 60649357) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
PubChem CID60649357
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
SMILESC#CCNCC(O)COCc1ccco1
InChIInChI=1S/C11H15NO3/c1-2-5-12-7-10(13)8-14-9-11-4-3-6-15-11/h1,3-4,6,10,12-13H,5,7-9H2
InChIKeyKEHRXGVCHHJWCL-UHFFFAOYSA-N
XLogP0.38
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60634350
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
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol (CID 60649357) is 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol is C#CCNCC(O)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol?
The InChIKey is KEHRXGVCHHJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-5-12-7-10(13)8-14-9-11-4-3-6-15-11/h1,3-4,6,10,12-13H,5,7-9H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol?
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol has a molecular weight of 209.25 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol is sourced from PubChem (CID 60649357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).