4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol

C11H18BrNO3 — CID 107093913

IUPAC4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO3/c1-8(10-3-4-11(12)16-10)13-6-5-9(14)7-15-2/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyNCQAQJBOUAWESG-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.09
Rot. Bonds7

About 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol

4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol (PubChem CID 107093913) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
PubChem CID107093913
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO3/c1-8(10-3-4-11(12)16-10)13-6-5-9(14)7-15-2/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyNCQAQJBOUAWESG-UHFFFAOYSA-N
XLogP2.09
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 104653027
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114465820
1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
CID 103906000
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
CID 106244935
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 107093693
4-[1-[(3-hydroxy-4-methoxybutyl)amino]ethyl]benzonitrile
CID 103922135
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol (CID 107093913) is 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol is COCC(O)CCNC(C)c1ccc(Br)o1.
What is the InChIKey of 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
The InChIKey is NCQAQJBOUAWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3/c1-8(10-3-4-11(12)16-10)13-6-5-9(14)7-15-2/h3-4,8-9,13-14H,5-7H2,1-2H3.
What are the key properties of 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol has a molecular weight of 292.17 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 107093913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).