2-fluoro-6-(2-phenylpropylamino)benzonitrile

C16H15FN2 — CID 43399520

IUPAC2-fluoro-6-(2-phenylpropylamino)benzonitrile
SMILESCC(CNc1cccc(F)c1C#N)c1ccccc1
InChIInChI=1S/C16H15FN2/c1-12(13-6-3-2-4-7-13)11-19-16-9-5-8-15(17)14(16)10-18/h2-9,12,19H,11H2,1H3
InChIKeyCBSKVJCSYHMCQB-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.91
Rot. Bonds4

About 2-fluoro-6-(2-phenylpropylamino)benzonitrile

2-fluoro-6-(2-phenylpropylamino)benzonitrile (PubChem CID 43399520) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-fluoro-6-(2-phenylpropylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-phenylpropylamino)benzonitrile
PubChem CID43399520
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-fluoro-6-(2-phenylpropylamino)benzonitrile
SMILESCC(CNc1cccc(F)c1C#N)c1ccccc1
InChIInChI=1S/C16H15FN2/c1-12(13-6-3-2-4-7-13)11-19-16-9-5-8-15(17)14(16)10-18/h2-9,12,19H,11H2,1H3
InChIKeyCBSKVJCSYHMCQB-UHFFFAOYSA-N
XLogP3.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyano-3-fluoroanilino)-2-phenylpropanoic acid
CID 64566700
2-fluoro-6-(2-hydroxybutylamino)benzonitrile
CID 60886657
2-fluoro-6-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 104577319
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649
2-(2,2-diethoxyethylamino)-6-fluorobenzonitrile
CID 81093722
2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile
CID 75855950
3-(2-cyano-3-fluoroanilino)-2-methoxypropanoic acid
CID 106108357
2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile
CID 32809400
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
2-fluoro-6-[(3-hydroxy-3-phenylbutyl)amino]benzonitrile
CID 133495669

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-phenylpropylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-phenylpropylamino)benzonitrile (CID 43399520) is 2-fluoro-6-(2-phenylpropylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-phenylpropylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-phenylpropylamino)benzonitrile is CC(CNc1cccc(F)c1C#N)c1ccccc1.
What is the InChIKey of 2-fluoro-6-(2-phenylpropylamino)benzonitrile?
The InChIKey is CBSKVJCSYHMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-12(13-6-3-2-4-7-13)11-19-16-9-5-8-15(17)14(16)10-18/h2-9,12,19H,11H2,1H3.
What are the key properties of 2-fluoro-6-(2-phenylpropylamino)benzonitrile?
2-fluoro-6-(2-phenylpropylamino)benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.91, 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-phenylpropylamino)benzonitrile is sourced from PubChem (CID 43399520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).