3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile

C17H17FN2O — CID 60924442

IUPAC3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
SMILESCOCc1ccccc1CNCc1ccc(C#N)cc1F
InChIInChI=1S/C17H17FN2O/c1-21-12-16-5-3-2-4-14(16)10-20-11-15-7-6-13(9-19)8-17(15)18/h2-8,20H,10-12H2,1H3
InChIKeyFZVSKNAUKLBALA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.13
Rot. Bonds6

About 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile

3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile (PubChem CID 60924442) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
PubChem CID60924442
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
SMILESCOCc1ccccc1CNCc1ccc(C#N)cc1F
InChIInChI=1S/C17H17FN2O/c1-21-12-16-5-3-2-4-14(16)10-20-11-15-7-6-13(9-19)8-17(15)18/h2-8,20H,10-12H2,1H3
InChIKeyFZVSKNAUKLBALA-UHFFFAOYSA-N
XLogP3.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 102664142
3-fluoro-4-[[(4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 28575352
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
4-[(2-aminoethylamino)methyl]-3-fluorobenzonitrile
CID 62140338
3-fluoro-4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzonitrile
CID 62843294
4-[[3-bromo-2-(methoxymethyl)anilino]methyl]-3-fluorobenzonitrile
CID 61167558
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 106133058
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
3-fluoro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzonitrile
CID 113278201
3-fluoro-4-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380821

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile (CID 60924442) is 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile is COCc1ccccc1CNCc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile?
The InChIKey is FZVSKNAUKLBALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-21-12-16-5-3-2-4-14(16)10-20-11-15-7-6-13(9-19)8-17(15)18/h2-8,20H,10-12H2,1H3.
What are the key properties of 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile?
3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile has a molecular weight of 284.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile is sourced from PubChem (CID 60924442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).