1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol

C16H21NO4 — CID 109415919

IUPAC1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCN(C)c1cccc(OCC(O)COCc2ccco2)c1
InChIInChI=1S/C16H21NO4/c1-17(2)13-5-3-6-15(9-13)21-11-14(18)10-19-12-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3
InChIKeyQAGLXRYVWXGZRA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds8

About 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol

1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 109415919) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID109415919
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCN(C)c1cccc(OCC(O)COCc2ccco2)c1
InChIInChI=1S/C16H21NO4/c1-17(2)13-5-3-6-15(9-13)21-11-14(18)10-19-12-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3
InChIKeyQAGLXRYVWXGZRA-UHFFFAOYSA-N
XLogP2.30
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
(2R)-1-(furan-2-ylmethoxy)-3-[methyl(2-phenoxyethyl)amino]propan-2-ol
CID 2110208
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
1-(furan-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 117246144
1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109412981
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
3-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 109416674
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione
CID 23967003

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol (CID 109415919) is 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol is CN(C)c1cccc(OCC(O)COCc2ccco2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is QAGLXRYVWXGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(2)13-5-3-6-15(9-13)21-11-14(18)10-19-12-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109415919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).