2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile

C16H15FN2O — CID 107114339

IUPAC2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile
SMILESCOc1ccccc1CNCc1cccc(C#N)c1F
InChIInChI=1S/C16H15FN2O/c1-20-15-8-3-2-5-13(15)10-19-11-14-7-4-6-12(9-18)16(14)17/h2-8,19H,10-11H2,1H3
InChIKeyRARGHCMGXFMOEX-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.00
Rot. Bonds5

About 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile

2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile (PubChem CID 107114339) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile
PubChem CID107114339
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile
SMILESCOc1ccccc1CNCc1cccc(C#N)c1F
InChIInChI=1S/C16H15FN2O/c1-20-15-8-3-2-5-13(15)10-19-11-14-7-4-6-12(9-18)16(14)17/h2-8,19H,10-11H2,1H3
InChIKeyRARGHCMGXFMOEX-UHFFFAOYSA-N
XLogP3.00
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
2-amino-3-[(2-methoxyphenyl)methylamino]benzonitrile
CID 104716155
3-[(2,2-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107114880
2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107114810
2-fluoro-3-[[(4-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 107114585
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
2-fluoro-3-[[2-(2-methylpropoxy)ethylamino]methyl]benzonitrile
CID 107114854
2-fluoro-3-[(2-methylpropoxyamino)methyl]benzonitrile
CID 107114750
3-[(2,6-diethylanilino)methyl]-2-fluorobenzonitrile
CID 107114552
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
CID 107114671

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile (CID 107114339) is 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile is COc1ccccc1CNCc1cccc(C#N)c1F.
What is the InChIKey of 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile?
The InChIKey is RARGHCMGXFMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-15-8-3-2-5-13(15)10-19-11-14-7-4-6-12(9-18)16(14)17/h2-8,19H,10-11H2,1H3.
What are the key properties of 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile?
2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 107114339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).