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

C18H22N2O — CID 115651497

IUPAC5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
SMILESCC(C)Cc1ccc(C(C)NCc2ccc(C#N)o2)cc1
InChIInChI=1S/C18H22N2O/c1-13(2)10-15-4-6-16(7-5-15)14(3)20-12-18-9-8-17(11-19)21-18/h4-9,13-14,20H,10,12H2,1-3H3
InChIKeyBBIUWISPWOKEJA-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.20
Rot. Bonds6

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

5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile (PubChem CID 115651497) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
PubChem CID115651497
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
SMILESCC(C)Cc1ccc(C(C)NCc2ccc(C#N)o2)cc1
InChIInChI=1S/C18H22N2O/c1-13(2)10-15-4-6-16(7-5-15)14(3)20-12-18-9-8-17(11-19)21-18/h4-9,13-14,20H,10,12H2,1-3H3
InChIKeyBBIUWISPWOKEJA-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-[[[(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-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
CID 115651624
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
CID 60647965
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651361
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652358

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile (CID 115651497) is 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile is CC(C)Cc1ccc(C(C)NCc2ccc(C#N)o2)cc1.
What is the InChIKey of 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile?
The InChIKey is BBIUWISPWOKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)10-15-4-6-16(7-5-15)14(3)20-12-18-9-8-17(11-19)21-18/h4-9,13-14,20H,10,12H2,1-3H3.
What are the key properties of 5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile?
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]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-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).