2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile

C17H17FN2 — CID 32809400

IUPAC2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile
SMILESCC(C)(CNc1cccc(F)c1C#N)c1ccccc1
InChIInChI=1S/C17H17FN2/c1-17(2,13-7-4-3-5-8-13)12-20-16-10-6-9-15(18)14(16)11-19/h3-10,20H,12H2,1-2H3
InChIKeyJDWDEWMJOXWQDH-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.09
Rot. Bonds4

About 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile

2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile (PubChem CID 32809400) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile
PubChem CID32809400
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile
SMILESCC(C)(CNc1cccc(F)c1C#N)c1ccccc1
InChIInChI=1S/C17H17FN2/c1-17(2,13-7-4-3-5-8-13)12-20-16-10-6-9-15(18)14(16)11-19/h3-10,20H,12H2,1-2H3
InChIKeyJDWDEWMJOXWQDH-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(3-hydroxy-3-phenylbutyl)amino]benzonitrile
CID 133495669
2-fluoro-6-[(2-methyl-2-methylsulfonylpropyl)amino]benzonitrile
CID 79563190
3-fluoro-4-[(2-methyl-2-phenylpropyl)amino]benzonitrile
CID 60988142
2-fluoro-6-(2-phenylpropylamino)benzonitrile
CID 43399520
methyl 3-(2-cyano-3-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643983
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
2-fluoro-6-(2-hydroxybutylamino)benzonitrile
CID 60886657
2-fluoro-6-(octylamino)benzonitrile
CID 43580179
tert-butyl 2-(2-cyano-3-fluoroanilino)acetate
CID 60824669
2-fluoro-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 43580632
2-[[(E)-3-chloroprop-2-enyl]amino]-6-fluorobenzonitrile
CID 107899698

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile (CID 32809400) is 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile is CC(C)(CNc1cccc(F)c1C#N)c1ccccc1.
What is the InChIKey of 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile?
The InChIKey is JDWDEWMJOXWQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-17(2,13-7-4-3-5-8-13)12-20-16-10-6-9-15(18)14(16)11-19/h3-10,20H,12H2,1-2H3.
What are the key properties of 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile?
2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile has a molecular weight of 268.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile is sourced from PubChem (CID 32809400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).