5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile

C17H17FN2O — CID 65344353

IUPAC5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN(C)Cc2ccccc2F)cc1C#N
InChIInChI=1S/C17H17FN2O/c1-20(12-14-5-3-4-6-16(14)18)11-13-7-8-17(21-2)15(9-13)10-19/h3-9H,11-12H2,1-2H3
InChIKeySNEVRCQFHWKXFD-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.34
Rot. Bonds5

About 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile

5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile (PubChem CID 65344353) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
PubChem CID65344353
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN(C)Cc2ccccc2F)cc1C#N
InChIInChI=1S/C17H17FN2O/c1-20(12-14-5-3-4-6-16(14)18)11-13-7-8-17(21-2)15(9-13)10-19/h3-9H,11-12H2,1-2H3
InChIKeySNEVRCQFHWKXFD-UHFFFAOYSA-N
XLogP3.34
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile 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

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788061
5-[[(2-aminophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65339662
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788068
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 65344219
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile
CID 90942860

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile (CID 65344353) is 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile is COc1ccc(CN(C)Cc2ccccc2F)cc1C#N.
What is the InChIKey of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is SNEVRCQFHWKXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(12-14-5-3-4-6-16(14)18)11-13-7-8-17(21-2)15(9-13)10-19/h3-9H,11-12H2,1-2H3.
What are the key properties of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile?
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 284.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).