2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol

C11H19NO2 — CID 43207118

IUPAC2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(C)o1
InChIInChI=1S/C11H19NO2/c1-4-10(7-13)12-9(3)11-6-5-8(2)14-11/h5-6,9-10,12-13H,4,7H2,1-3H3
InChIKeyAAASYACDKZOZTE-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.01
Rot. Bonds5

About 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol

2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol (PubChem CID 43207118) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
PubChem CID43207118
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(C)o1
InChIInChI=1S/C11H19NO2/c1-4-10(7-13)12-9(3)11-6-5-8(2)14-11/h5-6,9-10,12-13H,4,7H2,1-3H3
InChIKeyAAASYACDKZOZTE-UHFFFAOYSA-N
XLogP2.01
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide
CID 77031505
(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
CID 97056665
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzene-1,3-diol
CID 107711318
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol (CID 43207118) is 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccc(C)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
The InChIKey is AAASYACDKZOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-10(7-13)12-9(3)11-6-5-8(2)14-11/h5-6,9-10,12-13H,4,7H2,1-3H3.
What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 43207118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).