2-[2-(5-methylfuran-2-yl)ethylamino]ethanol

C9H15NO2 — CID 115216331

IUPAC2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
SMILESCc1ccc(CCNCCO)o1
InChIInChI=1S/C9H15NO2/c1-8-2-3-9(12-8)4-5-10-6-7-11/h2-3,10-11H,4-7H2,1H3
InChIKeyCFYCDWCOKFCNLE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.71
Rot. Bonds5

About 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol

2-[2-(5-methylfuran-2-yl)ethylamino]ethanol (PubChem CID 115216331) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
PubChem CID115216331
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
SMILESCc1ccc(CCNCCO)o1
InChIInChI=1S/C9H15NO2/c1-8-2-3-9(12-8)4-5-10-6-7-11/h2-3,10-11H,4-7H2,1H3
InChIKeyCFYCDWCOKFCNLE-UHFFFAOYSA-N
XLogP0.71
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
CID 115219138
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243693
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247111
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
azane;(5-methylfuran-2-yl)methanol
CID 175565780
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol (CID 115216331) is 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol is Cc1ccc(CCNCCO)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol?
The InChIKey is CFYCDWCOKFCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8-2-3-9(12-8)4-5-10-6-7-11/h2-3,10-11H,4-7H2,1H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol?
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol has a molecular weight of 169.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)ethylamino]ethanol is sourced from PubChem (CID 115216331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).