[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol

C12H21NO3 — CID 64591603

IUPAC[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
SMILESCCCCOCCNCc1ccc(CO)o1
InChIInChI=1S/C12H21NO3/c1-2-3-7-15-8-6-13-9-11-4-5-12(10-14)16-11/h4-5,13-14H,2-3,6-10H2,1H3
InChIKeyHTYCRKOTDOYVQZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.68
Rot. Bonds9

About [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol

[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol (PubChem CID 64591603) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
PubChem CID64591603
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
SMILESCCCCOCCNCc1ccc(CO)o1
InChIInChI=1S/C12H21NO3/c1-2-3-7-15-8-6-13-9-11-4-5-12(10-14)16-11/h4-5,13-14H,2-3,6-10H2,1H3
InChIKeyHTYCRKOTDOYVQZ-UHFFFAOYSA-N
XLogP1.68
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
methyl 5-[(2-butoxyethylamino)methyl]furan-3-carboxylate
CID 104586125
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638

Frequently Asked Questions

What is the IUPAC name of [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol (CID 64591603) is [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol is CCCCOCCNCc1ccc(CO)o1.
What is the InChIKey of [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol?
The InChIKey is HTYCRKOTDOYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-7-15-8-6-13-9-11-4-5-12(10-14)16-11/h4-5,13-14H,2-3,6-10H2,1H3.
What are the key properties of [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol?
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol has a molecular weight of 227.30 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).