5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile

C14H13FN2O — CID 115651492

IUPAC5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
SMILESCC(NCc1ccc(C#N)o1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c1-10(11-2-4-12(15)5-3-11)17-9-14-7-6-13(8-16)18-14/h2-7,10,17H,9H2,1H3
InChIKeyQELKMHPQHTXWOC-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.14
Rot. Bonds4

About 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile

5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile (PubChem CID 115651492) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
PubChem CID115651492
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
SMILESCC(NCc1ccc(C#N)o1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c1-10(11-2-4-12(15)5-3-11)17-9-14-7-6-13(8-16)18-14/h2-7,10,17H,9H2,1H3
InChIKeyQELKMHPQHTXWOC-UHFFFAOYSA-N
XLogP3.14
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651361
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
(1S)-1-(4-fluorophenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 81348306
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
CID 115651624
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile (CID 115651492) is 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile is CC(NCc1ccc(C#N)o1)c1ccc(F)cc1.
What is the InChIKey of 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
The InChIKey is QELKMHPQHTXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10(11-2-4-12(15)5-3-11)17-9-14-7-6-13(8-16)18-14/h2-7,10,17H,9H2,1H3.
What are the key properties of 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile has a molecular weight of 244.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).