[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol

C12H19NO2 — CID 115879804

IUPAC[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
SMILESC=C(C)CN(CC)Cc1ccc(CO)o1
InChIInChI=1S/C12H19NO2/c1-4-13(7-10(2)3)8-11-5-6-12(9-14)15-11/h5-6,14H,2,4,7-9H2,1,3H3
InChIKeyQDDSIOKMWBUJQU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.17
Rot. Bonds6

About [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol

[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol (PubChem CID 115879804) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
PubChem CID115879804
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
SMILESC=C(C)CN(CC)Cc1ccc(CO)o1
InChIInChI=1S/C12H19NO2/c1-4-13(7-10(2)3)8-11-5-6-12(9-14)15-11/h5-6,14H,2,4,7-9H2,1,3H3
InChIKeyQDDSIOKMWBUJQU-UHFFFAOYSA-N
XLogP2.17
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol (CID 115879804) is [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol is C=C(C)CN(CC)Cc1ccc(CO)o1.
What is the InChIKey of [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is QDDSIOKMWBUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-13(7-10(2)3)8-11-5-6-12(9-14)15-11/h5-6,14H,2,4,7-9H2,1,3H3.
What are the key properties of [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol?
[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 115879804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).