1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol

C14H17NO3 — CID 3148954

IUPAC1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol
SMILESOC(CNCc1ccco1)COc1ccccc1
InChIInChI=1S/C14H17NO3/c16-12(9-15-10-14-7-4-8-17-14)11-18-13-5-2-1-3-6-13/h1-8,12,15-16H,9-11H2
InChIKeyXWAFEMUPOVKNGE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.81
Rot. Bonds7

About 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol

1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol (PubChem CID 3148954) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol
PubChem CID3148954
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol
SMILESOC(CNCc1ccco1)COc1ccccc1
InChIInChI=1S/C14H17NO3/c16-12(9-15-10-14-7-4-8-17-14)11-18-13-5-2-1-3-6-13/h1-8,12,15-16H,9-11H2
InChIKeyXWAFEMUPOVKNGE-UHFFFAOYSA-N
XLogP1.81
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol (CID 3148954) is 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol is OC(CNCc1ccco1)COc1ccccc1.
What is the InChIKey of 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol?
The InChIKey is XWAFEMUPOVKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12(9-15-10-14-7-4-8-17-14)11-18-13-5-2-1-3-6-13/h1-8,12,15-16H,9-11H2.
What are the key properties of 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol?
1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol has a molecular weight of 247.29 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 3148954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).