5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile

C16H18N2O — CID 115652358

IUPAC5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile
SMILESCc1ccccc1CC(C)NCc1ccc(C#N)o1
InChIInChI=1S/C16H18N2O/c1-12-5-3-4-6-14(12)9-13(2)18-11-16-8-7-15(10-17)19-16/h3-8,13,18H,9,11H2,1-2H3
InChIKeyIIAPMCHMGNPDIK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.18
Rot. Bonds5

About 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile

5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile (PubChem CID 115652358) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile
PubChem CID115652358
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile
SMILESCc1ccccc1CC(C)NCc1ccc(C#N)o1
InChIInChI=1S/C16H18N2O/c1-12-5-3-4-6-14(12)9-13(2)18-11-16-8-7-15(10-17)19-16/h3-8,13,18H,9,11H2,1-2H3
InChIKeyIIAPMCHMGNPDIK-UHFFFAOYSA-N
XLogP3.18
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carboxylic acid
CID 63317201
4-[[1-(2-methylphenyl)propan-2-ylamino]methyl]benzonitrile
CID 60943745
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile (CID 115652358) is 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile is Cc1ccccc1CC(C)NCc1ccc(C#N)o1.
What is the InChIKey of 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile?
The InChIKey is IIAPMCHMGNPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-5-3-4-6-14(12)9-13(2)18-11-16-8-7-15(10-17)19-16/h3-8,13,18H,9,11H2,1-2H3.
What are the key properties of 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile?
5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).