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

C15H13FN2 — CID 28879330

IUPAC2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
SMILESCc1ccc(NCc2ccccc2C#N)c(F)c1
InChIInChI=1S/C15H13FN2/c1-11-6-7-15(14(16)8-11)18-10-13-5-3-2-4-12(13)9-17/h2-8,18H,10H2,1H3
InChIKeyBYIYMGLCTNYMND-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.62
Rot. Bonds3

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

2-[(2-fluoro-4-methylanilino)methyl]benzonitrile (PubChem CID 28879330) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
PubChem CID28879330
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
SMILESCc1ccc(NCc2ccccc2C#N)c(F)c1
InChIInChI=1S/C15H13FN2/c1-11-6-7-15(14(16)8-11)18-10-13-5-3-2-4-12(13)9-17/h2-8,18H,10H2,1H3
InChIKeyBYIYMGLCTNYMND-UHFFFAOYSA-N
XLogP3.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
2-[(2-bromo-5-methylanilino)methyl]benzonitrile
CID 103865844
2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62308969
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
2-[2-[(2-fluoro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 43772247
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
3-[(4-bromo-2-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 103913692
2-[(2,3-dimethylanilino)methyl]benzonitrile
CID 28585691
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
2-[(2,5-dimethylphenyl)methylamino]-5-fluorobenzonitrile
CID 82016482
2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
CID 62306735
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile?
The IUPAC name of 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile (CID 28879330) is 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile?
The canonical SMILES for 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile is Cc1ccc(NCc2ccccc2C#N)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile?
The InChIKey is BYIYMGLCTNYMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-11-6-7-15(14(16)8-11)18-10-13-5-3-2-4-12(13)9-17/h2-8,18H,10H2,1H3.
What are the key properties of 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile?
2-[(2-fluoro-4-methylanilino)methyl]benzonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methylanilino)methyl]benzonitrile is sourced from PubChem (CID 28879330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).