5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile

C18H22N2O — CID 115651624

IUPAC5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
SMILESCCc1ccc(C(NCc2ccc(C#N)o2)C(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-5-7-15(8-6-14)18(13(2)3)20-12-17-10-9-16(11-19)21-17/h5-10,13,18,20H,4,12H2,1-3H3
InChIKeyRHPUUWWWWOMGPU-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.20
Rot. Bonds6

About 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile

5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile (PubChem CID 115651624) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
PubChem CID115651624
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
SMILESCCc1ccc(C(NCc2ccc(C#N)o2)C(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-5-7-15(8-6-14)18(13(2)3)20-12-17-10-9-16(11-19)21-17/h5-10,13,18,20H,4,12H2,1-3H3
InChIKeyRHPUUWWWWOMGPU-UHFFFAOYSA-N
XLogP4.20
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115651694
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[[1-(4-chlorophenyl)-2-methylpropyl]amino]methyl]furan-2-carboxylic acid
CID 63316509

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile (CID 115651624) is 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile is CCc1ccc(C(NCc2ccc(C#N)o2)C(C)C)cc1.
What is the InChIKey of 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile?
The InChIKey is RHPUUWWWWOMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14-5-7-15(8-6-14)18(13(2)3)20-12-17-10-9-16(11-19)21-17/h5-10,13,18,20H,4,12H2,1-3H3.
What are the key properties of 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile?
5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).