[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol

C12H16N2O2 — CID 69144825

IUPAC[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol
SMILESCNCCNc1ccc2oc(CO)cc2c1
InChIInChI=1S/C12H16N2O2/c1-13-4-5-14-10-2-3-12-9(6-10)7-11(8-15)16-12/h2-3,6-7,13-15H,4-5,8H2,1H3
InChIKeyIFJRCFRRVCLPML-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.56
Rot. Bonds5

About [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol

[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol (PubChem CID 69144825) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol
PubChem CID69144825
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol
SMILESCNCCNc1ccc2oc(CO)cc2c1
InChIInChI=1S/C12H16N2O2/c1-13-4-5-14-10-2-3-12-9(6-10)7-11(8-15)16-12/h2-3,6-7,13-15H,4-5,8H2,1H3
InChIKeyIFJRCFRRVCLPML-UHFFFAOYSA-N
XLogP1.56
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol?
The IUPAC name of [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol (CID 69144825) is [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol?
The canonical SMILES for [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol is CNCCNc1ccc2oc(CO)cc2c1.
What is the InChIKey of [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol?
The InChIKey is IFJRCFRRVCLPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-4-5-14-10-2-3-12-9(6-10)7-11(8-15)16-12/h2-3,6-7,13-15H,4-5,8H2,1H3.
What are the key properties of [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol?
[5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol has a molecular weight of 220.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(methylamino)ethylamino]-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 69144825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).