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

C14H12F2N2O — CID 115651361

IUPAC5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
SMILESCC(NCc1ccc(C#N)o1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-9(13-5-2-10(15)6-14(13)16)18-8-12-4-3-11(7-17)19-12/h2-6,9,18H,8H2,1H3
InChIKeyRLRGGSIQMZTZOJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.28
Rot. Bonds4

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

5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile (PubChem CID 115651361) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
PubChem CID115651361
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
SMILESCC(NCc1ccc(C#N)o1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-9(13-5-2-10(15)6-14(13)16)18-8-12-4-3-11(7-17)19-12/h2-6,9,18H,8H2,1H3
InChIKeyRLRGGSIQMZTZOJ-UHFFFAOYSA-N
XLogP3.28
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
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-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile (CID 115651361) is 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile is CC(NCc1ccc(C#N)o1)c1ccc(F)cc1F.
What is the InChIKey of 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
The InChIKey is RLRGGSIQMZTZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9(13-5-2-10(15)6-14(13)16)18-8-12-4-3-11(7-17)19-12/h2-6,9,18H,8H2,1H3.
What are the key properties of 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile?
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile has a molecular weight of 262.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).