1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol

C11H19NO3 — CID 60969452

IUPAC1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
SMILESCOCCCCNCC(O)c1ccco1
InChIInChI=1S/C11H19NO3/c1-14-7-3-2-6-12-9-10(13)11-5-4-8-15-11/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3
InChIKeyQUXAMCFHNLCPQX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.33
Rot. Bonds8

About 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol

1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol (PubChem CID 60969452) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
PubChem CID60969452
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
SMILESCOCCCCNCC(O)c1ccco1
InChIInChI=1S/C11H19NO3/c1-14-7-3-2-6-12-9-10(13)11-5-4-8-15-11/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3
InChIKeyQUXAMCFHNLCPQX-UHFFFAOYSA-N
XLogP1.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.33
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

methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
1-(furan-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanol
CID 106261262
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
1-(1,3-benzodioxol-5-yl)-2-(4-methoxybutylamino)ethanol
CID 60970196
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62564988
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol (CID 60969452) is 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol is COCCCCNCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol?
The InChIKey is QUXAMCFHNLCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-7-3-2-6-12-9-10(13)11-5-4-8-15-11/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol?
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol has a molecular weight of 213.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol is sourced from PubChem (CID 60969452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).