2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol

C12H22N2O3 — CID 114243000

IUPAC2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol
SMILESCc1ccc(C(CN)N(C)CCOCCO)o1
InChIInChI=1S/C12H22N2O3/c1-10-3-4-12(17-10)11(9-13)14(2)5-7-16-8-6-15/h3-4,11,15H,5-9,13H2,1-2H3
InChIKeyHNYQTROHSMGKPZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds8

About 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol

2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol (PubChem CID 114243000) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol
PubChem CID114243000
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol
SMILESCc1ccc(C(CN)N(C)CCOCCO)o1
InChIInChI=1S/C12H22N2O3/c1-10-3-4-12(17-10)11(9-13)14(2)5-7-16-8-6-15/h3-4,11,15H,5-9,13H2,1-2H3
InChIKeyHNYQTROHSMGKPZ-UHFFFAOYSA-N
XLogP0.53
TPSA71.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol (CID 114243000) is 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol is Cc1ccc(C(CN)N(C)CCOCCO)o1.
What is the InChIKey of 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol?
The InChIKey is HNYQTROHSMGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-3-4-12(17-10)11(9-13)14(2)5-7-16-8-6-15/h3-4,11,15H,5-9,13H2,1-2H3.
What are the key properties of 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol?
2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol has a molecular weight of 242.32 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-amino-1-(5-methylfuran-2-yl)ethyl]-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).