5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile

C17H20N2O — CID 115653747

IUPAC5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile
SMILESCC(C)(CCc1ccccc1)NCc1ccc(C#N)o1
InChIInChI=1S/C17H20N2O/c1-17(2,11-10-14-6-4-3-5-7-14)19-13-16-9-8-15(12-18)20-16/h3-9,19H,10-11,13H2,1-2H3
InChIKeyGYFJFYGUWMBEJA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.65
Rot. Bonds6

About 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile

5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115653747) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115653747
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile
SMILESCC(C)(CCc1ccccc1)NCc1ccc(C#N)o1
InChIInChI=1S/C17H20N2O/c1-17(2,11-10-14-6-4-3-5-7-14)19-13-16-9-8-15(12-18)20-16/h3-9,19H,10-11,13H2,1-2H3
InChIKeyGYFJFYGUWMBEJA-UHFFFAOYSA-N
XLogP3.65
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 106186279
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115685161
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
CID 102847714
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile (CID 115653747) is 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile is CC(C)(CCc1ccccc1)NCc1ccc(C#N)o1.
What is the InChIKey of 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is GYFJFYGUWMBEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,11-10-14-6-4-3-5-7-14)19-13-16-9-8-15(12-18)20-16/h3-9,19H,10-11,13H2,1-2H3.
What are the key properties of 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile?
5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).