5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile

C16H19N3O — CID 115651465

IUPAC5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
SMILESCN(C)C(CNCc1ccc(C#N)o1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(2)16(13-6-4-3-5-7-13)12-18-11-15-9-8-14(10-17)20-15/h3-9,16,18H,11-12H2,1-2H3
InChIKeyWBYHIHYYYWQDPA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds6

About 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile

5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile (PubChem CID 115651465) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
PubChem CID115651465
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
SMILESCN(C)C(CNCc1ccc(C#N)o1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(2)16(13-6-4-3-5-7-13)12-18-11-15-9-8-14(10-17)20-15/h3-9,16,18H,11-12H2,1-2H3
InChIKeyWBYHIHYYYWQDPA-UHFFFAOYSA-N
XLogP2.54
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 43758958
4-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202564
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
CID 115652842
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
CID 103707954
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242812
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile
CID 111467263

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile (CID 115651465) is 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile is CN(C)C(CNCc1ccc(C#N)o1)c1ccccc1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile?
The InChIKey is WBYHIHYYYWQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)16(13-6-4-3-5-7-13)12-18-11-15-9-8-14(10-17)20-15/h3-9,16,18H,11-12H2,1-2H3.
What are the key properties of 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile?
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).