2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile

C14H13BrN2O2 — CID 104652526

IUPAC2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile
SMILESCC(Nc1cccc(OCC#N)c1)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN2O2/c1-10(13-5-6-14(15)19-13)17-11-3-2-4-12(9-11)18-8-7-16/h2-6,9-10,17H,8H2,1H3
InChIKeyMFEYHSYFFKREKL-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.12
Rot. Bonds5

About 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile

2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile (PubChem CID 104652526) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile
PubChem CID104652526
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile
SMILESCC(Nc1cccc(OCC#N)c1)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN2O2/c1-10(13-5-6-14(15)19-13)17-11-3-2-4-12(9-11)18-8-7-16/h2-6,9-10,17H,8H2,1H3
InChIKeyMFEYHSYFFKREKL-UHFFFAOYSA-N
XLogP4.12
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524
2-[3-[1-(3-bromophenyl)ethylamino]phenoxy]acetonitrile
CID 43721240
2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile
CID 43721226
2-[3-[1-(4-methylsulfanylphenyl)ethylamino]phenoxy]acetonitrile
CID 43721178
methyl 2-[3-(cyanomethoxy)anilino]propanoate
CID 66172112
2-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenoxy]acetonitrile
CID 43721074
2-[3-(1-methylsulfonylpropan-2-ylamino)phenoxy]acetonitrile
CID 64628725
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
2-[3-[1-(4-methylphenyl)propylamino]phenoxy]acetonitrile
CID 43721247
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
2-[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenoxy]acetonitrile
CID 43784671

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile (CID 104652526) is 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile is CC(Nc1cccc(OCC#N)c1)c1ccc(Br)o1.
What is the InChIKey of 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile?
The InChIKey is MFEYHSYFFKREKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-10(13-5-6-14(15)19-13)17-11-3-2-4-12(9-11)18-8-7-16/h2-6,9-10,17H,8H2,1H3.
What are the key properties of 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile?
2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile has a molecular weight of 321.17 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile is sourced from PubChem (CID 104652526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).