2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol

C11H18BrNO3 — CID 115927552

IUPAC2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1occc1Br
InChIInChI=1S/C11H18BrNO3/c1-3-11(6-14,7-15)13-8(2)10-9(12)4-5-16-10/h4-5,8,13-15H,3,6-7H2,1-2H3
InChIKeyOSNNMFCICPOFGZ-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.83
Rot. Bonds6

About 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol

2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol (PubChem CID 115927552) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
PubChem CID115927552
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1occc1Br
InChIInChI=1S/C11H18BrNO3/c1-3-11(6-14,7-15)13-8(2)10-9(12)4-5-16-10/h4-5,8,13-15H,3,6-7H2,1-2H3
InChIKeyOSNNMFCICPOFGZ-UHFFFAOYSA-N
XLogP1.83
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
CID 115927326
2-[1-(4-bromophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 113354722
[1-[1-(3-bromofuran-2-yl)ethylamino]cyclobutyl]methanol
CID 115927959
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879
1-(3-bromofuran-2-yl)-2-ethylbutane-1,2-diol
CID 103449389
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
CID 103935636
2-ethyl-2-[1-(2-hydroxyphenyl)ethylamino]propane-1,3-diol
CID 113383908
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
CID 130621385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol (CID 115927552) is 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC(C)c1occc1Br.
What is the InChIKey of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol?
The InChIKey is OSNNMFCICPOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3/c1-3-11(6-14,7-15)13-8(2)10-9(12)4-5-16-10/h4-5,8,13-15H,3,6-7H2,1-2H3.
What are the key properties of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol?
2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol has a molecular weight of 292.17 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 115927552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).