[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol

C13H21NO3 — CID 103765942

IUPAC[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
SMILESCCc1ccc(CNC2(CO)CCOCC2)o1
InChIInChI=1S/C13H21NO3/c1-2-11-3-4-12(17-11)9-14-13(10-15)5-7-16-8-6-13/h3-4,14-15H,2,5-10H2,1H3
InChIKeyXKCHRNLFPRPCKF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.47
Rot. Bonds5

About [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol

[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol (PubChem CID 103765942) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
PubChem CID103765942
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
SMILESCCc1ccc(CNC2(CO)CCOCC2)o1
InChIInChI=1S/C13H21NO3/c1-2-11-3-4-12(17-11)9-14-13(10-15)5-7-16-8-6-13/h3-4,14-15H,2,5-10H2,1H3
InChIKeyXKCHRNLFPRPCKF-UHFFFAOYSA-N
XLogP1.47
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-2-carboxylic acid
CID 106297075
[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
CID 115762994
[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
CID 115758150
N-[(5-ethylfuran-2-yl)methyl]-1-methylcyclopropan-1-amine
CID 115697508
[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol
CID 115733353
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297418
N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide
CID 106297078
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447
4-[[(4-ethyloxan-4-yl)amino]methyl]benzoic acid
CID 167827793

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol (CID 103765942) is [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol is CCc1ccc(CNC2(CO)CCOCC2)o1.
What is the InChIKey of [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol?
The InChIKey is XKCHRNLFPRPCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-11-3-4-12(17-11)9-14-13(10-15)5-7-16-8-6-13/h3-4,14-15H,2,5-10H2,1H3.
What are the key properties of [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol?
[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol has a molecular weight of 239.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 103765942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).