2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol

C10H17NO3 — CID 65312665

IUPAC2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
SMILESCCc1ccc(CNC(CO)CO)o1
InChIInChI=1S/C10H17NO3/c1-2-9-3-4-10(14-9)5-11-8(6-12)7-13/h3-4,8,11-13H,2,5-7H2,1H3
InChIKeyKJEOAQUQZAQZSG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.28
Rot. Bonds6

About 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol

2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol (PubChem CID 65312665) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
PubChem CID65312665
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
SMILESCCc1ccc(CNC(CO)CO)o1
InChIInChI=1S/C10H17NO3/c1-2-9-3-4-10(14-9)5-11-8(6-12)7-13/h3-4,8,11-13H,2,5-7H2,1H3
InChIKeyKJEOAQUQZAQZSG-UHFFFAOYSA-N
XLogP0.28
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
CID 62346723
2-[(5-ethylfuran-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711521
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol (CID 65312665) is 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol is CCc1ccc(CNC(CO)CO)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol?
The InChIKey is KJEOAQUQZAQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-9-3-4-10(14-9)5-11-8(6-12)7-13/h3-4,8,11-13H,2,5-7H2,1H3.
What are the key properties of 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol?
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol has a molecular weight of 199.25 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 65312665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).