[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol

C12H19NO3 — CID 64590655

IUPAC[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCC2CCCOC2)o1
InChIInChI=1S/C12H19NO3/c14-8-12-4-3-11(16-12)7-13-6-10-2-1-5-15-9-10/h3-4,10,13-14H,1-2,5-9H2
InChIKeyTZIXHPGIOCKVII-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds5

About [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol

[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol (PubChem CID 64590655) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
PubChem CID64590655
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCC2CCCOC2)o1
InChIInChI=1S/C12H19NO3/c14-8-12-4-3-11(16-12)7-13-6-10-2-1-5-15-9-10/h3-4,10,13-14H,1-2,5-9H2
InChIKeyTZIXHPGIOCKVII-UHFFFAOYSA-N
XLogP1.29
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906775
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106126527
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61019453
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927

Frequently Asked Questions

What is the IUPAC name of [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol (CID 64590655) is [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNCC2CCCOC2)o1.
What is the InChIKey of [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol?
The InChIKey is TZIXHPGIOCKVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-8-12-4-3-11(16-12)7-13-6-10-2-1-5-15-9-10/h3-4,10,13-14H,1-2,5-9H2.
What are the key properties of [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol?
[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64590655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).