2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol

C11H19NO3 — CID 65312937

IUPAC2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
SMILESCc1cc(C(C)NC(CO)CO)c(C)o1
InChIInChI=1S/C11H19NO3/c1-7-4-11(9(3)15-7)8(2)12-10(5-13)6-14/h4,8,10,12-14H,5-6H2,1-3H3
InChIKeyOSYFGYRURICBDH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.90
Rot. Bonds5

About 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol

2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol (PubChem CID 65312937) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
PubChem CID65312937
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
SMILESCc1cc(C(C)NC(CO)CO)c(C)o1
InChIInChI=1S/C11H19NO3/c1-7-4-11(9(3)15-7)8(2)12-10(5-13)6-14/h4,8,10,12-14H,5-6H2,1-3H3
InChIKeyOSYFGYRURICBDH-UHFFFAOYSA-N
XLogP0.90
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64628955
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952768
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol (CID 65312937) is 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol is Cc1cc(C(C)NC(CO)CO)c(C)o1.
What is the InChIKey of 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol?
The InChIKey is OSYFGYRURICBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-4-11(9(3)15-7)8(2)12-10(5-13)6-14/h4,8,10,12-14H,5-6H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol?
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol has a molecular weight of 213.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 65312937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).