3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol

C10H17NO2 — CID 64814919

IUPAC3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(C)oc1C
InChIInChI=1S/C10H17NO2/c1-7-6-9(8(2)13-7)10(11-3)4-5-12/h6,10-12H,4-5H2,1-3H3
InChIKeyDOXDUOCZITXBND-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.54
Rot. Bonds4

About 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol

3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol (PubChem CID 64814919) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol
PubChem CID64814919
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(C)oc1C
InChIInChI=1S/C10H17NO2/c1-7-6-9(8(2)13-7)10(11-3)4-5-12/h6,10-12H,4-5H2,1-3H3
InChIKeyDOXDUOCZITXBND-UHFFFAOYSA-N
XLogP1.54
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N,4,4-trimethylpentan-1-amine
CID 115849857
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105015520
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
1-(2,5-dimethylfuran-3-yl)decylhydrazine
CID 105293337
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol
CID 83937241
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol (CID 64814919) is 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol is CNC(CCO)c1cc(C)oc1C.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol?
The InChIKey is DOXDUOCZITXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-6-9(8(2)13-7)10(11-3)4-5-12/h6,10-12H,4-5H2,1-3H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol?
3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 64814919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).