2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol

C12H21NO3 — CID 115723342

IUPAC2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol
SMILESCCOCC(C)NCC(O)c1ccc(C)o1
InChIInChI=1S/C12H21NO3/c1-4-15-8-9(2)13-7-11(14)12-6-5-10(3)16-12/h5-6,9,11,13-14H,4,7-8H2,1-3H3
InChIKeyZCZKAFIPORQLRU-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.64
Rot. Bonds7

About 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol

2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol (PubChem CID 115723342) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol
PubChem CID115723342
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol
SMILESCCOCC(C)NCC(O)c1ccc(C)o1
InChIInChI=1S/C12H21NO3/c1-4-15-8-9(2)13-7-11(14)12-6-5-10(3)16-12/h5-6,9,11,13-14H,4,7-8H2,1-3H3
InChIKeyZCZKAFIPORQLRU-UHFFFAOYSA-N
XLogP1.64
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol (CID 115723342) is 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol is CCOCC(C)NCC(O)c1ccc(C)o1.
What is the InChIKey of 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol?
The InChIKey is ZCZKAFIPORQLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-15-8-9(2)13-7-11(14)12-6-5-10(3)16-12/h5-6,9,11,13-14H,4,7-8H2,1-3H3.
What are the key properties of 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol?
2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol has a molecular weight of 227.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol is sourced from PubChem (CID 115723342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).