2-[(4-fluoro-N-methylanilino)methyl]benzonitrile

C15H13FN2 — CID 60964779

IUPAC2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2/c1-18(15-8-6-14(16)7-9-15)11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3
InChIKeyZXAOKAKPWJXLMC-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.33
Rot. Bonds3

About 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile

2-[(4-fluoro-N-methylanilino)methyl]benzonitrile (PubChem CID 60964779) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
PubChem CID60964779
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2/c1-18(15-8-6-14(16)7-9-15)11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3
InChIKeyZXAOKAKPWJXLMC-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-amino-N-methylanilino)methyl]-2-fluorobenzonitrile
CID 107118536
2-[(N-methyl-4-phenylmethoxyanilino)methyl]benzonitrile
CID 168969764
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
ethyl 2-[4-[(2-cyanophenyl)methyl-methylamino]phenyl]acetate
CID 23333579
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
CID 62981738
2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzonitrile
CID 107276024
3-[(N,2-dimethylanilino)methyl]-2-fluorobenzonitrile
CID 107114943
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
2-[2-(4-fluorophenyl)-2-oxoethyl]benzonitrile
CID 122390947

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile?
The IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile (CID 60964779) is 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile?
The canonical SMILES for 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile is CN(Cc1ccccc1C#N)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile?
The InChIKey is ZXAOKAKPWJXLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-18(15-8-6-14(16)7-9-15)11-13-5-3-2-4-12(13)10-17/h2-9H,11H2,1H3.
What are the key properties of 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile?
2-[(4-fluoro-N-methylanilino)methyl]benzonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-N-methylanilino)methyl]benzonitrile is sourced from PubChem (CID 60964779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).