2-(benzylamino)-2-phenylbutanenitrile

C17H18N2 — CID 101459494

IUPAC2-(benzylamino)-2-phenylbutanenitrile
SMILESCCC(C#N)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-2-17(14-18,16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,19H,2,13H2,1H3
InChIKeyRSIKAVXNZDEFRF-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.61
Rot. Bonds5

About 2-(benzylamino)-2-phenylbutanenitrile

2-(benzylamino)-2-phenylbutanenitrile (PubChem CID 101459494) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(benzylamino)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-phenylbutanenitrile
PubChem CID101459494
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(benzylamino)-2-phenylbutanenitrile
SMILESCCC(C#N)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-2-17(14-18,16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,19H,2,13H2,1H3
InChIKeyRSIKAVXNZDEFRF-UHFFFAOYSA-N
XLogP3.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-cyclopropylbutanenitrile
CID 64918670
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile
CID 63965125
3-(3-methylbutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanenitrile
CID 107754942
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
(2R)-2-benzyl-2-hydroxybutanenitrile
CID 124564557

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-phenylbutanenitrile?
The IUPAC name of 2-(benzylamino)-2-phenylbutanenitrile (CID 101459494) is 2-(benzylamino)-2-phenylbutanenitrile.
What is the SMILES notation for 2-(benzylamino)-2-phenylbutanenitrile?
The canonical SMILES for 2-(benzylamino)-2-phenylbutanenitrile is CCC(C#N)(NCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-phenylbutanenitrile?
The InChIKey is RSIKAVXNZDEFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-17(14-18,16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,19H,2,13H2,1H3.
What are the key properties of 2-(benzylamino)-2-phenylbutanenitrile?
2-(benzylamino)-2-phenylbutanenitrile has a molecular weight of 250.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-phenylbutanenitrile is sourced from PubChem (CID 101459494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).